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Methionine sulfone zwitterion is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of methionine sulfone; major miscrospecies at pH 7.3. It is a tautomer of a L-methionine sulfone.

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Nelfinavir mesylate is a methanesulfonate (mesylate) salt prepared from equimolar amounts of nelfinavir and methanesulfonic acid. It is used for treatment of HIV and also exhibits some anticancer properties. It has a role as a HIV protease inhibitor and an antineoplastic agent. It contains a nelfinavir(1+).

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Tripfordine C is a sesquiterpene alkaloid with formula C36H45NO17, that is isolated from the root bark of Tripterygium hypoglaucum. It has a role as a plant metabolite. It is an acetate ester, a dihydroagarofuran sesquiterpenoid, a macrolide, a pyridine alkaloid and a sesquiterpene alkaloid.

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2,3-dihydroxy-DDT is a chlorocatechol and a member of monochlorobenzenes. It has a role as a mouse metabolite. It derives from a DDT.

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Oxalurate is the conjugate base of oxaluric acid; major species at pH 7.3. It is a conjugate base of an oxaluric acid.

0.22812432 1.7335967 -0.40684727 -2.2595966 -1.6117558 -4.4258323 -0.37085018 1.8671184 -1.4440601 2.3371716 1.7256904 -2.0471065 1.0922842 -4.558521 -1.5670068 -2.8809943 0.16309306 -0.9943387 -2.822851 1.7727772 -1.9090388 -2.9371486 -1.5266836 -3.243284 -0.82223725 0.2999789 2.7744548 1.9718288 -2.158859 -3.1280327 -1.7498562 -2.456098 0.76824874 3.0232725 0.8464596 1.8076143 -0.70500976 1.6961706 1.8367325 4.9509444 -2.0559316 1.2867998 -0.4145896 -0.05505352 -2.5843432 -0.29035485 -0.19388197 -0.01604402 -2.6643693 1.1096284 3.5726686 0.6912266 1.1921161 2.4093032 2.4139287 0.7868473 0.5883722 -0.9040764 -0.82788014 -0.80075276 1.281959 -0.39604098 0.81264585 -0.17565082 -2.988515 2.8692665 2.5991817 1.3955988 0.58845764 1.1292856 2.3560438 3.018918 -5.0143332 -1.0533168 -2.5561304 -1.3236613 -3.1477022 -1.5754285 0.80634564 3.057272 -2.5242898 -3.500317 -2.4116085 2.1451275 2.4133704 -2.1022923 -1.5006624 1.8598566 0.25137603 1.1825659 -1.4789025 1.0729058 -1.3415799 4.0511703 -2.2422073 0.021284863 2.021976 -2.0260935 -2.2513604 -0.59651434 2.81516 -0.599855 -2.3667712 -1.7472314 -0.30747768 -1.943635 -0.8957743 -1.9477234 -0.5071913 2.3539734 -0.31360185 -1.1956666 -2.5726957 1.0404485 1.5317366 -0.16496065 2.3477716 1.146608 0.23119694 1.4960909 0.48784745 -2.2750812 -0.9228468 -1.1294078 0.028681591 -1.270791 4.6570206 2.6411252 0.40847582 1.292795 3.1535132 -0.045846038 -3.3481665 3.7306173 1.6250612 -0.3729959 -0.5785445 -0.2892203 4.807315 1.0850217 0.7495627 -1.8389322 -0.6737939 2.2872744 3.3268566 -3.4816725 -0.8100703 2.7856495 -0.9818948 0.14496204 0.17562155 0.14527273 -1.0834205 -0.62556624 1.4467511 -0.22450694 3.2787867 0.5087864 1.5659835 -1.0546305 -4.5547814 -0.3830335 -0.7189726 -1.6180518 0.8553118 -3.7691355 4.3526998 2.4880087 -3.4290228 -1.0870128 -1.5144544 1.078624 2.2904563 0.3561901 0.9430163 -1.6485677 2.5342329 3.3683429 -0.1728825 -3.2862592 2.2737741 -0.7476599 -1.8823041 0.9536957 0.27675596 -0.27197897 -3.06869 0.51359034 1.1574045 1.0274551 4.180186 1.8287444 1.5591198 -0.68066037 -3.1950994 0.74543774 2.896485 1.013174 0.89527625 -0.90024614 -4.1926165 -1.870837 0.6475445 3.4117746 -1.4660363 -1.1843613 2.2878299 1.6291885 2.2519064 2.4596465 0.43185776 0.19617195 0.64473224 -0.46877605 3.2591856 0.8189961 -3.1428866 -1.2826662 1.4581976 1.3908436 1.0433288 1.3736541 -3.076697 1.3147296 -3.586508 1.1116 0.4111043 0.09394207 -2.9430315 1.5266631 -0.43258584 1.7652227 -3.4579208 -0.7712586 0.92211986 1.8676451 1.6478323 -1.9671451 -0.4530886 -0.3238127 2.6006284 1.2471225 -0.7039213 -0.99796295 -0.4077705 -2.8987875 0.6954396 0.89254 -1.1178179 0.45642647 3.1164937 0.78733206 -0.86490965 1.6034422 -1.6596507 1.8607922 1.8768021 -1.526642 1.7775795 -1.4193829 0.52882373 -3.1342711 -0.1825958 -1.4203258 -0.104890995 0.4626165 0.5136471 2.9669857 2.1000535 -1.679836 -1.450772 0.91332066 3.1956623 2.6339135 0.6822393 -1.9353238 0.29283777 0.22100261 -1.2787638 0.5588183 -2.3599079 -0.13838845 -0.05054444 -1.3524228 0.98680794 -1.0440147 0.90553224 0.5452955 0.15784651 -1.5778443 5.0046473 -1.4423214 0.61581814 -1.2625688 -0.17785732 -2.5042481 0.8970937 0.7707594 2.1761935 1.74583

Ethylene glycol bis(2-aminoethyl)tetraacetic acid is a diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively. It has a role as a chelator. It is a tetracarboxylic acid, a tertiary amino compound and a diether.

-1.7921364 2.8281412 -1.1659511 -4.131795 0.2411561 -4.525159 0.8833101 4.553166 -4.367667 4.3437796 0.89944947 -6.1622066 -1.0870476 -3.629669 -0.36111194 -4.9813056 3.26145 -0.39284477 -9.726516 4.7929983 -4.2611876 -5.1717443 -2.7470403 -12.6322365 -1.6638889 6.7901864 1.1209198 8.6301155 -3.3903055 -9.092888 -2.5810866 -0.05184847 -0.9492595 8.617465 3.282763 5.6900973 -2.859276 17.773922 -0.36805493 6.054903 -7.1709957 -1.9788791 -3.4215496 -4.382798 -7.004579 3.993329 1.1001636 -2.1958053 -2.459803 6.29142 5.33218 -1.3812408 2.7488506 5.5752525 4.415167 -1.3764821 2.9401505 -1.1691043 -0.35206833 -4.221404 -1.528261 -5.4438887 4.4940352 8.903227 -1.6984662 1.7059257 3.5210853 -2.487775 2.6301947 1.5349541 3.5719645 1.8114251 -6.4445267 5.0182023 -4.4651937 -0.994831 -2.0591905 3.6344578 5.3142133 2.77954 -4.8846984 -5.472594 -3.3580523 1.7352315 3.7081687 -3.812109 0.08303177 9.96329 9.21818 -0.96283406 -2.0345438 3.933282 0.67279935 2.316526 -3.0306337 0.10317807 0.4171791 -6.0408745 4.815063 2.8970795 3.268181 -2.196864 -5.5132117 -4.829154 -6.8741803 1.5436903 -0.42218578 -1.4940507 -0.7104863 10.252846 -7.7442207 2.6636057 -10.716055 -2.0670123 2.2279184 -1.3028768 -0.18851578 6.905903 -2.6912584 9.781502 6.448101 1.4301348 -6.8128834 -3.1968737 2.174475 -13.129451 11.210696 7.625601 -3.129913 6.650237 11.343096 -6.264848 -8.017534 8.5260315 9.542499 3.989663 -0.39688212 0.6871828 17.703157 1.8281921 -8.515214 1.3224976 -0.6281313 3.0198412 8.346395 -13.205644 -3.1570807 8.709399 -5.216821 3.4487803 4.5627112 -1.7473571 -5.8547754 1.2935053 -4.166095 3.3985643 10.691374 6.8357463 11.937875 -1.6329849 -12.696968 -0.91501653 -7.161524 -4.2295303 4.4385223 -4.573471 11.811065 8.392199 -5.7875714 7.204888 5.977755 2.589121 6.6251445 0.925901 0.114962265 -3.1041133 16.064674 7.8976083 -12.073601 -6.1896434 3.6001787 -3.3293347 -10.239734 1.1879181 5.321202 4.6612 -5.515459 5.8511047 1.0702505 2.970615 8.445865 7.0558724 0.36755598 1.9571209 -1.5588411 0.5185589 4.6391525 5.1241565 2.5335653 0.23094684 -9.217189 -1.7619989 0.60697126 6.1680384 1.5292785 -5.521711 2.9374287 3.180484 -2.8732643 5.565964 -2.593711 3.2462595 4.1333437 -6.9211097 7.6223745 -1.042442 -7.842783 0.30116937 7.2293468 0.8898877 -2.1439302 5.184484 -6.317322 7.585025 -11.882587 -1.9039216 0.19147587 5.5521197 -1.0928489 -0.97854865 4.0236516 3.2421792 -7.65074 -4.6350026 1.0865763 5.8423653 5.774993 0.5780983 -5.9762735 1.320063 4.8336167 2.583802 -2.3793755 0.1540223 2.1970081 -6.8556056 3.40829 -0.15228169 -5.6372213 1.4786594 9.046639 -1.1045969 2.1226168 1.7831807 -2.9056177 -3.078554 6.755502 -6.7603016 0.18347177 -4.491191 4.6369696 -7.67746 3.0771174 -2.083364 5.3641653 3.222362 4.3723707 -3.3786168 2.7842176 -3.9614005 -4.143782 2.4091902 10.256834 3.898748 10.150016 5.78485 -8.326674 -6.6152062 -1.6987245 -2.7498326 -6.4046984 -2.3176498 1.2297703 -5.970029 4.4672003 -0.73244375 5.8543463 -1.8230541 4.732447 -0.761476 5.739213 -2.516078 7.2534523 -2.0400553 4.566059 -9.465736 2.3901389 2.865625 10.678034 5.786454

Uridine 5'-monophosphate is a pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a uridine 5'-phosphate and a pyrimidine ribonucleoside 5'-monophosphate. It is a conjugate acid of a uridine 5'-monophosphate(2-).

-0.4329567 8.198854 -0.6565437 1.3504837 1.5568384 -12.218231 0.108731344 5.060613 7.0441184 1.6055106 2.7373328 -6.1666064 -2.942262 9.492815 0.91241986 -2.055505 3.0619593 -0.6426358 -15.468794 7.80823 -5.671135 -7.33968 -7.933815 -3.1692533 -5.7010446 -0.059849456 -0.8910721 4.6144323 -1.1376027 -5.430572 -0.5906065 -0.10012301 3.7188976 4.4009123 9.116275 2.03636 1.4863858 4.5723724 -0.18131621 -1.9979357 -4.0615616 3.8204787 -1.0004432 -2.304088 -5.8636465 0.23151624 2.4726057 1.738305 -0.17987245 4.747108 7.405631 -1.362882 3.3226118 3.464058 5.774459 -2.7251332 -2.5600393 -1.9315678 -4.504931 -2.0550191 1.1207758 -2.3698773 3.1194043 4.5645294 -3.8476443 1.61553 0.68426645 3.3840456 2.2401695 -1.8887644 1.607797 3.3515913 -5.6794443 3.1339068 -0.29689378 -1.2656683 -7.973372 7.038801 1.3051225 3.3085787 -1.9837493 -6.30771 0.3240646 1.9697833 -1.4639463 -1.1920522 7.2243657 2.9710803 5.1112623 -4.5874667 -1.8329687 -2.2763772 2.3222227 1.302691 -2.5667346 -0.4916127 5.4747033 -0.7050469 0.32582363 -1.4028329 1.8765491 1.9192863 -9.361118 -1.2238468 4.4680886 -0.5521739 3.024826 -0.7413124 1.4338859 6.0172124 -5.008453 -2.1783636 -0.6874318 -1.4487834 8.387414 -3.1638403 -0.14988297 -0.62354475 6.288428 5.1276793 6.436539 -0.52264357 -12.059448 -2.4012992 5.083053 -8.323277 11.028714 5.9679947 -1.8535001 7.4790945 3.198484 2.3951037 -8.35173 8.070945 15.082353 1.71868 6.254506 0.021596886 8.579035 9.397519 0.47249997 -1.4267551 2.759482 4.3182316 13.865166 -3.289662 -3.2102206 10.845688 -7.4298944 1.3576949 8.230698 0.94603866 -12.570835 -0.28965387 -1.2402217 3.6857066 10.547964 5.6220293 8.534493 -5.184631 -6.2127404 0.24340998 -10.410097 -2.3276396 2.8316448 -5.7321424 16.91233 3.510829 -6.3427105 -2.3123178 3.843031 3.5028403 7.065888 -3.8163 0.17017144 -1.5984671 8.41189 3.0995383 2.2707171 3.722492 -2.554972 -0.21813473 -4.8751063 -1.2012538 4.796578 -3.3697014 0.47392786 -3.3147519 0.6637002 -4.0146217 7.280626 2.4983892 2.6563704 -0.14555615 -2.1772926 5.4221597 2.5847473 -2.0994685 -3.5091798 -0.5937011 -2.3720315 -4.826601 4.6240435 6.253181 4.5103035 3.2187335 0.90055585 -3.0755522 3.5674217 5.38551 3.3508315 1.0808 -2.5733128 1.9275501 -0.15223116 3.9805088 -0.7588231 3.5632122 2.9801278 -3.6078055 -2.9769664 -7.456256 -2.8222868 2.2355998 -3.9645162 -6.2200933 -4.185023 -1.5132918 1.4717358 -3.2933805 0.77218384 3.8054872 0.6986659 2.927733 -4.4095325 -1.8732817 6.266819 -0.2777695 -3.7458858 -3.043456 0.64509887 -4.552199 -4.394179 -0.8749102 4.712522 -0.8986148 1.5461268 -3.4155045 -1.1084517 -1.2295116 5.23873 3.7809536 -0.16002613 1.8100141 0.8267591 5.617589 -0.28056702 -9.443132 -3.8108156 0.75874734 -3.4238179 -2.318531 -1.9605957 1.6222292 -0.82605994 -2.8839996 3.0839994 0.31627455 1.604033 -0.93319607 1.968114 1.6445332 2.3576934 -1.4312093 9.018985 6.541582 1.328211 -5.0877886 0.62362856 1.6652596 0.5197045 -5.455203 -3.5187063 0.79658616 4.2191052 -6.571949 -1.9867071 -3.947467 5.645523 0.6435586 0.85429287 -3.832849 9.913522 -3.1559975 1.3355594 -5.236646 -2.7020888 -0.7923734 2.9023728 3.8952224

(R)-3-hydroxyoctanoyl-CoA is an (R)-3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxyoctanoic acid. It is a hydroxy fatty acyl-CoA and a (R)-3-hydroxyacyl-CoA. It derives from an octanoyl-CoA and a (R)-3-hydroxyoctanoic acid. It is a conjugate acid of a (R)-3-hydroxyoctanoyl-CoA(4-).

5.8120856 21.584162 4.0335283 -6.73379 7.617823 -25.579525 -2.7843235 15.570259 4.716931 13.260376 14.971449 -15.918608 -1.8239363 8.5548115 5.5091734 -8.104565 7.116079 -1.0267226 -34.69597 15.001046 -20.96441 -19.039171 -18.315624 -17.515293 -16.559874 6.901352 4.624608 18.354158 -7.819431 -14.9783325 0.37730503 -0.8082486 2.5622718 16.955658 19.841064 8.766127 3.4525468 20.15148 -0.3766147 4.0846443 -13.281183 0.78073287 -5.4051013 -8.050017 -20.742508 -0.08085963 7.0321555 1.0190327 -1.6768076 12.068273 20.597105 0.5564594 12.414507 11.355949 18.650934 -5.6906147 3.9556804 -0.326977 -8.335728 -14.068286 4.5901065 -14.56793 13.399444 18.61255 -4.5022597 -0.80294937 6.3191724 1.0491233 5.266512 4.5422096 0.62467927 7.9674196 -22.031183 10.347253 -1.2154092 3.3898396 -17.840708 10.4517565 5.8362746 6.963195 -9.9432955 -9.561677 -0.52406436 10.1949835 2.649158 -4.1471167 13.605505 7.0527024 18.429735 -10.466162 -4.338684 -1.3565596 7.248587 3.7631073 -5.586152 0.30191258 14.025909 -2.8148077 6.56251 3.4600961 11.166449 9.575972 -12.87076 -2.958293 -1.3237773 -2.0080278 0.6171943 1.3990989 6.654421 23.157932 -18.818897 -4.5900116 -13.386575 -2.8761134 14.0078945 -3.4050636 -3.2022593 3.4927523 13.991063 14.12324 18.044926 -0.24617746 -26.538973 -0.8993878 10.945808 -22.105444 29.722136 16.883856 -5.0004725 20.97273 15.007873 0.912755 -19.208187 20.464302 27.942402 -0.7957601 7.3436956 1.0114133 29.499853 16.000278 -3.0875223 -5.919396 3.9443915 17.482508 29.16042 -24.661009 -7.0516753 26.908493 -24.605322 5.0708723 16.518614 0.21060947 -25.351536 5.1876 -8.216033 6.227598 21.540981 22.434765 25.714893 -12.252978 -15.565166 1.1370022 -22.960348 -10.949121 9.456387 -11.345255 32.33649 12.059781 -16.26052 -1.2683952 7.1282053 14.12365 12.760288 -6.243935 0.77956784 -5.9354095 26.788069 10.956296 -4.1200604 -6.934756 1.7570865 -2.8498514 -8.1050625 -1.3060216 16.912369 2.4919145 -2.5595703 -4.0351486 4.3588347 -0.23006281 16.150225 13.906893 2.9186163 -4.812948 -4.655264 8.106416 3.2570226 -2.6666307 -2.2750566 -2.047056 -8.394763 -10.755182 12.793015 16.568096 3.585854 2.5547009 2.3304412 -3.842648 12.375073 14.050883 4.8243556 4.53866 0.9163946 2.7933087 0.55341566 12.54235 -7.06455 7.967399 13.682304 -2.686183 -4.385907 -7.5825953 -7.8973927 9.553401 -19.597273 -9.974525 -7.252619 2.87042 0.4679607 -0.8374423 0.111430794 12.998465 -7.6026115 -6.440649 0.3102945 1.7172852 19.405724 -3.6967273 -4.8198366 -5.654023 5.9791284 0.29724964 -0.41152683 -5.674802 14.107308 -1.8486791 0.8629533 -9.514112 -4.946769 -0.7790321 15.638921 8.692484 4.9184046 1.8454559 -2.8970497 7.5136423 5.925558 -21.20193 -6.165816 -2.4174838 -2.6242068 -10.418356 -4.5407863 -3.5146859 7.627553 -3.076387 9.1427355 1.6549364 10.539673 -7.1153965 0.18692204 4.9467382 12.070691 -2.3399134 23.38352 7.1485057 -4.356095 -14.146068 1.1177655 1.6657392 0.39460343 -6.2403903 -7.6780643 1.3104292 14.256041 -9.705548 0.23351471 -6.744909 9.954843 -5.5146546 15.236398 -4.123414 16.850382 -7.4160156 2.3516233 -20.637054 -2.2758665 8.459366 7.273882 8.543812

2,3-diketogulonic acid is a carbohydrate acid formally derived from gulonic acid by oxidation of the -OH groups at positions 2 and 3 to keto groups. It has a role as an Escherichia coli metabolite. It is a dioxo monocarboxylic acid, a hydroxy monocarboxylic acid, an alpha-diketone and a carbohydrate acid. It is a conjugate acid of a 2,3-diketogulonate.

-0.8468381 4.3333697 1.1141435 -2.5317595 -4.2471805 -6.4814963 -1.072608 1.5043483 -1.228271 1.3973646 2.2892509 -4.171289 -0.16137297 -1.5023468 -1.1895541 -0.9782845 0.13897021 -1.1050801 -7.306964 3.3695784 -3.514148 -4.7804003 -1.3514578 -4.620949 -2.477676 0.8761814 2.1895366 2.6310983 -1.9986466 -4.8026857 -0.7392409 -3.2109046 -0.11215684 3.8076732 2.766697 3.7896597 -1.0287615 3.3202584 -0.06003429 4.6209097 -2.8068864 0.89344394 -0.59753674 -1.0305164 -3.5514638 1.2883561 0.25348604 2.070735 -2.7601273 3.7952516 4.2753754 1.1105641 0.9618065 2.251616 3.0964537 1.0716773 1.4330201 1.1131189 -0.23170018 -1.443631 -0.37027484 -3.1763437 2.6788714 3.5940428 -3.7211692 1.99786 3.6092672 0.9198344 0.05711882 1.5413171 1.8202089 4.7857766 -3.4093323 -0.02371011 -2.537769 -1.5002518 -3.6448236 0.45061502 0.99957997 3.2367575 -3.5417175 -3.6455538 -0.4041437 2.459833 2.8233438 -3.6858625 0.63820076 2.643304 3.8411682 0.6832617 -0.22723079 -2.0197732 -0.48015913 3.303985 0.4099973 2.9525006 1.6853523 -1.0210986 -3.2758503 -0.82027274 2.9481177 -0.40187627 -3.6667724 -4.058227 0.2656755 -2.5039387 -3.6075096 2.6844966 -0.77606964 1.5281748 -0.44843623 -2.6514957 -2.9471612 -0.52157605 1.9715208 -0.90924466 -0.8353412 3.2619963 1.6666416 2.6995986 0.27700752 0.91764516 -3.9045208 -1.423807 -0.15070502 -1.6502678 4.6229744 5.7194343 -1.796448 1.0454522 3.028212 1.5702393 -4.9444065 3.1164863 5.2370877 -0.37880725 -0.74275386 -0.30908036 8.409079 0.6697335 -2.0271933 -0.2817134 -0.42434576 3.7012253 6.5045133 -6.4585385 -1.9192137 2.8711922 -0.52207565 1.3805178 0.8566045 -0.1934287 -4.8843317 0.689993 1.9336029 1.2942069 5.446066 2.691564 4.0585423 -1.5811903 -5.2480097 0.6272656 -0.55385303 -2.172199 0.34825385 -2.519719 7.6356316 1.4185808 -2.908377 1.6369016 -0.47175336 3.6481473 2.605625 -0.66347486 -1.2741295 0.34223446 6.7016764 6.0857735 -2.6657507 -5.0405006 0.34281674 -2.0993013 -5.633724 2.414043 1.7672849 0.40855834 -1.9712608 0.78688264 1.9811994 1.3290942 3.6939657 4.094745 2.2177012 -1.5558226 0.14183724 1.6944039 4.029131 1.8311965 0.14527538 -1.1903163 -2.177328 0.5172139 2.214249 3.261317 1.0534506 -1.3019551 0.7082575 0.7366348 2.5114045 2.6728907 3.2326353 -0.136047 0.31068847 0.15316111 2.40975 1.646115 -3.8092432 -0.3358757 4.3037367 -0.5596742 -0.28687763 1.9520588 -1.4949352 3.3819284 -5.47493 0.36640415 -1.6221808 3.339631 -2.9304657 2.805667 1.6986688 2.5287256 -2.8864026 -0.09030567 1.9500101 -1.0905547 1.4022882 -0.21769306 -3.8230293 -1.6691974 0.2172745 -0.34794688 0.012243682 -0.6976961 3.1608045 -2.0687525 -1.8475409 -0.046429954 -2.6721659 0.53050154 4.3560133 1.3820523 -0.6578125 2.5330656 -0.2764655 -1.1148378 2.0346587 -1.8009229 0.25461277 0.70184374 0.5091943 -4.027169 -0.13172348 -1.1183875 -0.44216794 0.8594922 2.4193997 0.050242577 3.0986521 -3.6946013 0.5615104 0.5638248 -1.0302113 1.5715308 4.528383 2.6415496 -1.8080667 -2.1566749 -0.72247183 0.17818463 -2.106256 1.0616742 1.3267598 -0.23094323 3.5532904 -1.5890559 -0.7445136 1.6068962 2.877664 0.9034224 4.5002766 -2.0822866 4.165136 -4.4152446 -0.6026139 -4.4987454 -0.80358994 -0.41222912 3.887091 2.3163369

(R)-fenticonazole nitrate is an organic nitrate salt obtained by reaction of equimolar amounts of (R)-fenticonazole and nitric acid. It contains a (R)-fenticonazole(1+). It is an enantiomer of a (S)-fenticonazole nitrate.

-3.273175 12.956937 -2.0691335 -6.604588 6.081638 -13.125784 -18.986021 4.3727717 -7.085136 2.932235 13.032065 -10.119291 1.6457313 9.954738 4.761595 0.20805857 -0.6640452 3.263729 -16.036865 8.038722 -11.2644615 -2.1387105 -2.9131258 -11.655856 -1.8073536 1.467746 -4.559412 12.568161 -3.357371 -8.7299795 -3.5617828 -5.2062674 6.765679 4.9406238 -1.0017589 8.775534 6.4013553 3.0334961 0.47105616 -0.38428676 -7.3300495 -1.6395423 6.660447 -3.4279962 -6.166374 -4.8339686 14.16034 -9.375586 -4.1304755 2.4319477 12.288423 0.24595647 9.315591 3.9366345 -0.5346955 -1.5472263 -3.8248017 -7.408803 -9.545943 0.48333225 -3.334222 -2.4914734 1.325862 6.0613704 -1.0676888 3.6563237 -1.0506506 0.5309946 -2.5398219 5.092895 0.29928082 6.0808992 0.5195275 2.3239458 -5.8471956 0.2051335 -3.9815364 7.5975413 10.522555 9.039785 3.3733006 -4.560016 4.1167817 -1.9806364 -4.6087894 -4.167078 3.9921165 1.5736606 13.554379 -1.2232435 -3.1985328 -11.427017 1.9669255 2.969667 0.09431213 3.607613 -3.4897323 0.084397525 -10.42545 0.3162316 -2.5638037 -0.89375764 -8.288354 -5.817087 2.709176 0.53206646 1.4494631 -5.232021 1.9423561 6.808467 -5.594736 -12.806457 -7.2892747 -4.515787 8.373294 -6.004965 3.9810667 3.5347025 1.8029423 7.187204 4.6023655 -5.4307594 -10.638798 -3.0544508 11.763496 -8.775104 10.311623 9.758867 2.9442863 1.1395104 5.9651947 -1.0945514 -12.304212 7.563092 9.511185 7.346385 -2.8565853 -7.788604 5.1379557 4.594595 2.0000246 2.1412163 2.5790093 3.5813682 15.632858 -14.212827 -2.3188162 9.157903 -11.251362 3.2791617 15.272259 -6.739582 -14.706581 -0.5608574 -0.02800497 1.2677159 7.2939615 1.2529113 0.23262654 -9.939555 -1.5690984 -1.773803 -11.368308 -6.3412104 4.1826606 -8.161617 22.095003 6.5763087 -6.091181 -4.004423 -1.4792218 -4.56026 12.398598 -4.9599996 8.033562 -8.950546 9.675081 -4.21213 -10.13684 -0.10109931 10.577387 -0.30023444 -8.397639 -4.8006687 9.606018 2.9768403 -11.467561 4.788264 -4.3952346 -1.4733578 17.454304 -0.90716493 -2.6306973 -6.4154325 -9.97389 -3.449624 1.8958938 -4.693699 -1.9942938 -4.1961284 2.5621 -16.081657 4.2005706 3.7540352 2.573959 3.0793486 0.95734864 -4.435785 11.532599 4.432347 -4.6290474 11.693821 5.484716 6.3722363 5.3737955 1.9929404 -6.193579 4.735266 -2.7228923 -3.9663177 8.340064 -18.704107 -10.246218 -5.5995903 -11.213601 1.8324643 11.539967 -10.641155 3.2381241 -7.462327 4.732188 15.54995 5.1679163 -0.84414846 -2.694428 0.9528811 -1.5110835 3.663028 0.46332628 3.9049513 2.4012766 -10.207267 -5.8478036 2.7147393 -0.36250433 -4.522944 9.71132 0.30085242 -10.636383 3.117556 4.245953 11.17092 10.511471 -5.8689466 -8.952528 -2.6882477 6.624234 -7.433536 -0.9296206 -9.708612 0.92446876 0.07980603 -7.063666 5.6847696 -8.398373 -4.2445264 -3.2700803 1.9489816 3.2707243 8.74671 3.778533 -3.6995468 4.7619643 13.644779 23.28758 -8.240235 8.099643 5.5594354 -4.343262 -0.31798458 -9.75296 -13.70035 -8.628732 10.566415 6.280521 -0.21858811 6.326536 -5.1143923 3.9329607 -1.803407 6.0901017 8.373678 7.4559383 -9.5907545 9.136971 -2.304353 1.7717091 3.8012068 1.1823786 2.7686539

Isoquinoline is an ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. It is a mancude organic heterobicyclic parent, an azaarene, an ortho-fused heteroarene and a member of isoquinolines.

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Achromobactin is a citrate siderophore possessing four carboxylate groups suitable for iron coordination. It has a role as a siderophore. It is a conjugate base of an achromobactin free acid.

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UK 63598 is a cyclodepsipeptide antibiotic that is isolated from Streptomyces sp. SNA15896 and also exhibits antitumour activity. It has a role as a bacterial metabolite. It is a heterodetic cyclic peptide, a hydroxyquinoline, a dithioacetal, a peptide antibiotic and a cyclodepsipeptide.

-10.313157 8.0182 -17.579168 -1.23054 -6.849424 -18.715609 -11.9391575 3.1480396 2.0722916 10.247618 10.9748 -20.501019 -4.7847657 24.668344 3.2523792 -2.0516872 18.336193 4.537168 -30.515358 15.461586 -12.520879 -18.213474 -13.795414 -9.977372 -5.9031086 -3.1767883 -2.8250132 22.37872 -4.8610406 -18.096756 4.388499 -10.690372 8.018022 22.62299 16.288095 6.825492 -1.6089982 1.1103983 -7.8820786 -3.2287378 -6.3752117 14.544425 6.864257 -4.3428845 -11.851562 -10.800988 18.266577 -3.7020268 3.0413861 11.43591 18.175774 -7.9899263 13.975585 8.502944 -3.4571147 2.720137 -9.918402 -1.7658912 -14.534236 -4.148107 4.9005537 -4.366173 -2.0453773 19.272429 -12.301896 -2.8162916 10.99731 15.28098 -2.6390781 5.423298 -4.6243453 4.7093644 -17.09221 -5.063387 1.5246625 -11.397553 -21.561642 24.898514 20.994198 22.69403 -3.9020188 -12.248019 2.8733604 18.828802 -1.243354 -4.651298 10.619317 -8.178602 31.719894 -18.133244 -9.376365 -9.537596 -2.5791893 7.125611 -16.116669 15.989782 2.6507788 1.9263252 -9.069948 -2.9849873 -0.15772912 -19.834728 -25.043758 -2.4905064 23.608036 3.396657 -0.43762082 -15.435796 -9.560169 20.277967 -11.926188 -8.698507 -15.122055 -9.831528 29.609241 -13.751955 7.4805555 5.955081 14.9139805 18.70183 2.8845487 -5.0044823 -15.762811 -2.2718565 28.250887 -25.739454 35.250973 17.89368 -4.3992486 18.277578 13.799195 1.1093032 -32.520607 16.730148 35.816273 7.1911902 9.289123 -3.0591583 13.57753 25.6489 -3.490472 -7.9881935 -4.518585 14.939954 26.005524 -6.3451324 -11.734814 19.966837 -22.32276 -5.2293167 15.782227 -7.793798 -40.047913 6.3647366 -4.0146284 -10.512504 20.45107 4.526594 10.365314 -25.429424 -15.334803 0.24778382 -31.050274 -4.5456896 6.8921103 -18.310638 42.682476 20.409536 -18.84357 -19.302465 -1.3802902 8.4994 25.677578 -0.7192923 -0.87731254 -14.228672 10.634816 19.248774 -11.253337 9.650296 6.193861 -0.62027264 -17.563892 -9.271234 13.204818 -11.263306 -12.305009 16.317194 2.3107948 1.3370618 27.617205 0.006511789 6.211769 -3.4399066 -7.761661 0.6215166 8.547146 -1.8814613 -0.36082783 3.6430922 6.3635893 -23.236643 5.7056494 18.202381 2.9548974 11.484891 9.673927 -12.49325 11.583482 7.1200724 10.445777 7.7411933 7.6835074 6.8812733 12.728332 15.114138 0.10964874 1.9920679 -15.289282 -3.8220103 13.668091 -30.606451 -15.142359 -7.817369 -25.198315 -8.964979 8.01019 -11.404842 -5.280802 -6.76473 3.3585534 15.070574 7.499425 -4.4524775 -3.185001 4.3192854 -1.1548343 1.2987226 -0.18532814 -8.681992 0.3218509 -21.065046 -17.765793 0.93669975 -1.9475621 -9.502604 13.093247 3.5300393 -13.0844345 -4.020529 22.882889 17.652613 2.308466 5.879565 -15.416212 11.131154 15.917751 -16.974974 1.808515 -13.85356 -8.9525 -13.266155 -26.55853 3.3700287 -19.600061 -3.6587193 -3.2181113 8.346363 14.302374 14.309717 8.902172 -15.312404 1.606796 25.311367 26.551126 -15.143854 5.1044154 8.449075 -11.496715 -10.82279 -32.12564 -12.502409 -12.823722 23.270697 11.912819 -14.729863 -2.8470907 0.15072489 19.030561 0.95482093 6.978117 -12.084078 31.574774 -9.116031 1.2463684 -28.978409 6.2100897 -0.8905731 -0.7537154 13.313798

(S)-3-(indol-3-ylmethyl)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one is a member of the class of indoles that is 1H-indole substituted by a [(8aS)-1-oxo-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl group at position 3. It is a member of indoles and a pyrrolopyrazine.

-0.89055866 6.101003 -3.675017 -0.04385484 0.37679666 -3.33441 -5.649557 2.2252212 -2.7980728 1.2757506 2.2435565 -4.6868033 1.3132439 7.4906664 2.0024722 -0.4171552 4.048389 3.4386559 -6.276052 4.1301503 -3.8900082 -0.0026115775 -3.1750956 -4.6133103 -1.6836792 -0.6104809 -0.88707453 7.184717 -3.0099258 -2.7950153 -1.927491 -0.9007312 3.0499368 2.3802733 2.5312383 1.6170583 2.0046244 1.4339743 -1.003337 -0.17249686 -1.179773 1.2518306 3.0913074 -1.8689872 -2.6785746 -2.629494 4.9748874 -1.2190733 -0.93822545 0.9205985 4.530872 -1.0489743 2.1860142 1.6276044 -2.7763834 -2.4107945 -2.4833443 -4.160093 -4.6099706 -0.75466377 -0.7201741 0.5392352 -1.1687679 2.602235 -1.885923 2.4915314 -2.9017482 1.8275635 -0.0017583519 0.6377443 -1.456396 3.47483 -0.9624418 -1.9591994 0.50593597 -1.666812 -3.0858812 6.899612 5.1580625 7.941172 0.9680269 -3.0435457 2.0345726 4.1891613 -1.9268918 -1.5044878 4.166639 -3.092035 6.9852886 -3.7932734 -0.8220399 -3.008482 -0.7047584 0.8439984 -2.069081 3.354055 -2.2729475 -0.8850616 -6.36638 -0.7748554 -3.1952813 -3.7192392 -6.661848 -1.9913625 6.386427 0.093198195 2.8601353 -5.5654955 -1.2858155 4.255525 0.013962686 -4.297826 -3.0811203 -0.8516284 7.9709845 -4.2550735 4.1942873 -0.2606054 3.570216 6.3604035 0.6807414 -1.2781639 -7.403823 -0.14544341 7.182274 -6.8147807 6.149586 3.525468 2.8365893 4.798641 6.7157974 -1.9523866 -8.258887 3.7823455 8.34184 2.3888137 1.1971736 -4.3459225 1.6387693 7.4995575 -1.8571196 -0.31092626 1.5220785 5.625483 7.725516 -2.101759 -2.2444668 4.3364167 -5.128443 2.34978 5.513715 -0.7642182 -11.773158 0.17668757 -0.98974067 -1.6243349 5.1456885 0.80555445 2.3432455 -6.8567753 -1.5494034 1.019081 -7.0387535 -3.3659377 2.0585482 -6.1059775 8.473799 3.4532714 -2.3116093 -3.7489724 -3.9756525 -1.2870212 5.91036 -2.9625363 2.636532 -2.684952 -0.2756346 1.3689172 -2.5895727 1.3698763 6.3768682 -0.90526956 -2.6544077 -2.8906446 5.2929125 -3.451128 -4.2642775 3.626902 -0.9721892 -0.15686353 8.727853 0.2900248 1.0739782 -2.5834622 -5.582424 1.3403127 3.1986923 -1.681355 -1.0444084 -0.19981617 2.77852 -8.784233 2.85417 2.389406 1.781748 3.4831562 2.3199148 -3.252484 4.2067947 4.5305505 0.3860458 6.0265865 1.9790745 0.0413289 6.499276 0.75213 -0.9483224 0.5238644 -2.8122554 -1.535059 4.4573107 -8.683212 -3.6145403 -4.5294747 -6.9501715 -1.6482786 2.6826668 -5.1537204 1.3499548 -2.1639204 -1.0873107 3.7430105 4.087241 -0.78515226 -1.2246674 -0.27136245 -0.19360992 0.78114235 2.4043715 -1.1658912 0.95641494 -7.858966 -5.6054907 -0.042276815 -2.3278437 -3.4326048 2.7265162 1.6224197 -2.8388991 2.3960342 5.095254 4.90591 2.7123756 -0.16300783 -4.701685 2.8999107 3.916989 -7.604381 0.44528928 -5.8571124 -2.4256928 -2.062757 -7.4674735 2.0745804 -7.1016154 -1.7025714 -1.3687503 0.42153332 1.8717266 3.736981 1.2963331 -1.1954926 -0.52596927 7.8374457 8.166132 -4.6201196 2.977104 2.1683912 -2.336563 -4.406682 -6.4768753 -6.9104886 -6.2822204 4.60857 3.1572626 -5.8506117 0.5515406 -0.22858948 4.8550453 -1.4389793 0.6698387 0.41045436 7.5122557 -2.2059371 2.7912223 -2.9359055 2.473569 -0.75104636 -0.37520707 3.9880376

13,14-dihydro-15-oxo-prostaglandin E2 is the 13,14-dihydro derivative of 15-oxo-prostaglandin E2. It derives from a prostaglandin E2. It is a conjugate acid of a 13,14-dihydro-15-oxo-prostaglandin E2(1-).

2.3128226 5.7953734 -0.8885419 -3.6924179 -1.2271956 -5.2227535 -3.3257325 3.4469955 -3.2671711 5.4401083 4.535242 -6.324667 -0.41646263 1.6243241 -0.9400013 -2.6346972 4.8186493 3.0012922 -10.009346 2.4126468 -3.6433637 -7.3014317 -2.3192437 -8.519727 -3.146501 6.6526 2.4837918 10.707835 -2.850325 -6.0948133 -0.84580517 -5.416402 0.6027832 6.7241683 8.2276945 4.4428844 -2.2379415 9.338234 -2.6638653 5.1434617 -2.7084796 -4.0732083 2.3734806 -1.7182953 -8.6853 0.5453054 -0.2294756 1.8690871 -1.683037 6.0995865 5.639534 1.2889355 6.4999523 4.856682 3.3015106 -1.8645006 0.482385 -0.3894508 -0.16042234 -2.3234167 1.1088731 -7.9352193 0.13088018 9.698214 0.70701635 -2.2104094 1.9781561 2.5153656 4.047598 -5.515311 1.3625588 2.44106 -5.1114945 1.4363484 1.0757494 -1.6384162 -4.725019 7.5075474 3.0707831 2.3422143 -4.3512797 -4.575129 0.98073596 6.391879 2.3882403 -1.5917597 0.74343616 1.1009123 8.732957 -7.745409 1.4612324 4.97325 5.259549 -0.26807317 -2.3230107 0.44695324 0.6608217 0.052025393 1.0899773 -0.12311855 2.2470407 -0.67722845 -7.1134486 -2.7308753 -1.8009536 4.2917204 -1.6753068 -1.7450289 1.9147803 7.6045084 -4.9489865 0.60755265 -6.973078 -2.2369127 1.8087263 -1.2883769 -1.0498309 4.8453097 4.8092394 7.72645 8.715548 1.6039983 -3.17995 -2.2378087 5.250211 -13.532712 8.850082 8.933553 -3.969186 7.652188 8.645529 -3.6155262 -6.2097697 3.642795 9.916302 -0.3072775 4.6416893 2.6757336 12.358221 6.4330993 -3.337387 0.098633885 -0.19381262 6.3338675 8.284769 -11.108541 -4.756505 8.653763 -7.0645585 1.9207085 2.0193973 0.22823404 -10.199517 0.46288225 -2.9223335 1.7875859 7.5477467 7.2187867 13.149834 -5.248572 -14.11531 3.3612962 -4.318288 -5.6196837 4.014359 -2.6231375 7.764601 7.8458915 -6.8202586 4.098446 2.1433597 6.704496 1.6409785 1.9144616 -1.6541156 0.11808712 10.031636 6.6165724 -6.4418855 -4.50375 2.0291977 0.73180515 -7.6782093 1.3689989 7.268697 1.87386 -2.7730327 -0.17402954 2.9219542 6.25895 3.6485062 10.332972 1.1566696 -0.9901049 -1.2920249 4.2046223 4.8223248 5.53439 3.7975287 1.7099121 -3.5952623 -1.7724979 4.0516844 4.9419165 2.6033852 -3.0170586 1.0099349 -1.2520833 0.9958842 1.3678386 -0.5186606 1.6874554 3.8882372 -8.416861 3.4929628 -1.4307479 -3.6903088 -6.0432606 4.2163763 -3.851639 -1.1634145 5.592778 -5.823887 6.1123204 -12.567453 0.6520736 -5.051301 1.6348324 -5.149815 1.7847167 3.8526475 0.24576572 -2.8069673 -4.319909 0.19093497 1.3710592 10.1015215 -1.0492305 -5.2846303 -3.9949124 -1.8242173 -2.333936 -1.7042959 -0.053382844 2.2811303 -0.15777124 0.6326209 0.4487927 -2.957525 3.9204323 8.66953 1.3041488 -4.4245405 2.4864786 2.453478 -1.5873506 9.703768 -5.577359 -6.436239 -4.2841816 1.169548 -7.27679 -2.3792164 -1.2379752 1.3742282 0.82066 3.6437123 -5.1203456 6.7151346 -3.4644823 -4.663656 -0.5068277 2.8279521 3.2044969 2.4070988 8.530665 -2.2771611 -3.0965009 2.4154341 -4.277709 -7.0782466 1.9187641 -0.5022124 -1.1450917 6.291669 0.051997773 -0.9051465 -3.0303822 8.623975 4.329137 5.147774 -0.93793064 8.87147 -0.6799494 2.1384785 -7.663391 5.3625574 -1.2408642 4.230301 5.931

(3R)-3-amino-4-hydroxybutanoic acid is a beta-amino acid that is butanoic acid substituted by an amino group at position 3 and a hydroxy group at position 4. It is a beta-amino acid and a hydroxy monocarboxylic acid.

-0.5715268 2.3006766 -0.17900851 -2.1537464 -0.14786492 -3.5330026 -0.25694084 0.9003016 -1.2700002 1.0322458 0.6903159 -3.4001606 -0.96244574 -0.55777943 -0.9046567 -1.0078772 0.2268027 -0.84769493 -4.5322146 2.6212406 -1.8608071 -2.600205 -1.1654624 -2.4457242 -0.43657494 0.64649546 0.63011664 1.4730396 -0.8050063 -2.488068 0.051968217 -1.3245388 -0.16340183 2.1352406 2.0427532 1.6471013 -1.6202669 3.0841012 0.21839957 2.1159434 -1.6533389 0.31568643 -0.4116814 -0.3489173 -3.139207 0.3365255 -0.5151905 1.4520864 -0.87395257 2.983303 1.2272534 1.1325628 0.6365001 1.0653801 0.6219498 -0.31621724 0.9976287 0.41644228 -0.35936436 -2.158578 0.040537775 -2.4603145 3.0566747 2.7272522 -2.0542243 1.1183698 1.9583519 1.1617613 -0.38040084 0.49798715 0.56833243 1.8969909 -1.9312382 -0.00881747 -1.1891323 -0.7562498 -0.99370587 1.3451173 0.13747708 1.7937267 -2.5991826 -1.6440358 -0.8725461 2.092036 1.8524346 -1.5093955 0.603909 1.6409109 2.6284137 -0.0808942 -0.70292485 0.045340728 -0.69131315 1.2963747 -0.029027171 1.0224051 -0.13534585 -0.06748493 -0.8750547 0.013459265 1.7312227 0.3963743 -1.5100032 -1.7680056 -0.72765905 -0.70216846 -1.046361 1.3358884 -0.3262528 0.7522949 -1.3622594 -0.7449951 -2.0853302 -0.5109201 1.2349807 -1.3256251 0.75077945 1.8949823 0.6274805 2.1506171 0.8489087 0.43415657 -2.9540005 -0.29470295 -0.20967692 -1.4094223 2.601213 3.0896058 -1.1342974 0.0733227 2.5945156 0.3981512 -1.4673657 1.8685465 2.5327766 -0.55278975 -0.7370045 0.523305 5.6776743 0.03885752 -1.4501208 -0.21828827 0.43849272 1.9891274 4.237555 -3.8418748 -1.4542065 3.0443027 -2.011972 1.1585768 1.4713612 -0.24402781 -2.7548304 0.795732 -0.41763496 1.4440199 3.4608886 2.6694705 3.16741 -0.7952168 -3.051466 -0.20698468 -1.1945602 -1.7088366 0.70161307 -2.1145291 4.7572627 1.0928346 -0.9472926 0.9679315 -0.06075164 1.7230146 2.0568037 0.24272893 -0.71871537 -0.057816133 4.793391 2.8224401 -2.5492234 -3.2571979 0.87191176 -1.5912354 -2.4821093 0.21722618 2.595234 1.1775266 -0.59592223 -0.116161294 2.0452309 1.7219079 3.4392023 2.7677884 0.30628723 -0.6595864 -1.1089352 1.2951632 1.7596033 1.4236592 1.0908973 -1.075528 -1.8545873 -0.8106963 1.239728 1.940746 0.6810704 -0.82888234 0.5584352 0.22024852 1.283384 1.4799061 0.8046748 0.7526181 -0.08035881 -0.62823504 0.8445296 0.29576123 -2.1485722 -0.30090672 2.4890969 -0.6633159 -0.7874803 1.4383979 -1.2398733 2.9021616 -3.9759877 0.082280576 -1.8688159 1.7290058 -1.8212419 1.4429504 0.4645568 1.3315659 -1.9163775 -1.0721277 0.4943351 0.66174483 2.4452734 0.2499911 -1.7915131 -0.77957916 0.30929434 -0.10608423 0.25019914 -0.20640713 1.8328273 -1.1549463 -0.9979025 -0.57942504 -1.5532601 0.092467636 2.779312 1.0048195 -1.2752159 0.65484905 0.078984 -0.53667855 2.2623982 -2.4694693 -0.11321339 0.14571768 -0.24453908 -2.7749991 0.7037645 -0.28060955 1.2260942 0.39776263 1.9714986 0.051247805 1.7779281 -1.3378248 -1.3452412 0.8136661 0.95720696 0.70872915 2.6540349 1.4251848 -0.8367811 -1.7100087 -0.50561196 -0.88093024 -1.6891501 -0.28359616 0.82595694 -0.31479096 2.333613 -1.3889709 0.60963136 0.64756787 1.721543 -0.7938304 3.245861 -1.5512741 2.2352886 -1.8179698 -0.40144813 -4.0763392 -0.14731693 0.10844462 2.0335875 1.9110165

(2E,11Z,14Z)-icosatrienoyl-CoA is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,11Z,14Z)-icosatrienoic acid. It is a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (2E,11Z,14Z)-icosatrienoyl-CoA(4-).

8.662727 24.229042 5.7223697 -10.6398735 6.618325 -27.123568 -6.6083484 16.80189 -0.24507734 17.40775 22.60619 -17.709105 3.1082664 8.819349 6.7468953 -10.414712 10.185675 4.398557 -39.958725 14.810515 -19.69628 -18.004385 -17.786089 -24.013683 -19.457342 11.192637 5.605254 26.021276 -11.118979 -17.60563 0.3989848 -2.8483362 1.7766589 18.950466 28.132608 12.632061 2.9030528 25.748976 -0.16834366 6.606076 -10.428544 -6.2997317 -6.657406 -9.28087 -24.47779 2.0389378 6.1693854 1.5792887 -3.7280374 12.479158 25.144728 3.1396463 16.596907 14.7394905 19.476812 -10.484733 1.268257 -0.095868155 -6.9450374 -16.29068 3.9918242 -18.153515 10.423232 25.680176 -1.4454362 0.1518409 5.764674 1.1225941 9.022394 -2.3770056 2.9132586 5.3163433 -24.105947 11.65676 -1.78529 5.3597875 -19.765089 15.412338 8.776352 7.727469 -12.189002 -8.289082 1.0522009 16.502975 2.9116013 -2.9494073 11.261559 6.0156918 24.23137 -16.745306 -2.3791504 1.4487139 13.869639 1.5471361 -7.130058 -2.5614352 14.079265 -2.4689856 8.634387 7.4780173 13.465275 10.998491 -15.473303 -2.0647976 -6.303465 2.6777465 2.4402344 0.55205625 11.056542 26.873848 -20.940357 -1.4089001 -19.780361 -6.420354 13.210594 -2.3729386 -8.251843 7.3199973 18.125166 20.787441 27.03752 -0.11106787 -22.899124 0.14133118 16.892086 -35.064648 33.85025 23.870304 -7.0024996 27.508013 20.197666 -5.6615815 -20.684902 21.363089 32.06317 -3.1998332 10.954548 0.75896716 34.850193 18.991238 -4.352692 -4.3543935 6.4924884 19.18774 32.9359 -34.01052 -10.672478 33.349503 -30.194773 2.9048681 15.407643 -1.0133474 -29.383238 6.4336066 -10.060248 7.3770847 19.644552 26.78243 34.302128 -14.214392 -21.446308 5.0514975 -23.73445 -13.674786 15.640821 -9.4877825 31.376265 19.735294 -18.042685 2.2621124 7.977265 17.588425 11.077281 -4.0814104 0.281823 -5.1290135 32.66025 10.807239 -8.787274 -9.025208 1.6532555 -1.0596479 -9.595251 -1.7757361 20.69215 4.410433 -4.1015267 -5.689671 5.656396 3.5032568 15.897489 19.685186 3.223566 -6.1420326 -2.4982283 11.670649 6.5750837 -0.62389356 2.2206588 0.44674957 -9.119638 -9.079277 14.233245 15.688557 4.527224 -1.8454237 2.9360561 -6.528891 13.2326 10.904242 0.45287475 6.3967795 5.9652443 -4.1853657 3.579461 9.013897 -6.431716 4.4640493 17.423277 -4.732833 -6.521399 -1.4459946 -12.551095 11.401115 -28.427944 -6.0682936 -11.317814 0.25225008 -1.5630063 2.8850136 1.9488688 13.758604 -8.296861 -8.575529 -0.07744941 1.5288619 24.766874 -5.9919004 -8.69539 -8.30979 3.48066 -1.6717707 0.47870332 -6.904985 11.893999 2.4782765 0.75938183 -9.568348 -6.944924 8.21679 19.400877 7.659353 4.5958805 2.7762318 0.016543463 4.2677226 11.089665 -24.332935 -11.339229 -6.7499723 -1.077291 -12.731608 -7.701605 -5.4218335 8.6671915 -2.5834997 13.087529 -0.82651573 14.668845 -8.380403 -4.089468 2.8062506 12.326726 -0.83940697 19.279915 15.694286 -4.90234 -12.501377 6.384859 -1.6841831 -3.6253736 -2.659808 -11.061646 0.92610323 17.29921 -4.1343393 1.1712995 -9.340559 13.879836 1.316857 17.282364 -2.8147464 17.678865 -5.920056 5.7370157 -18.197382 1.0479642 9.12555 7.3447785 8.944097

N,N-dihydroxy-L-isoleucine is an N,N-dihydroxy amino acid that is derived from L-isoleucine. It is a N,N-dihydroxy-alpha-amino acid and a L-isoleucine derivative. It is a conjugate acid of a N,N-dihydroxy-L-isoleucinate.

-0.7850919 1.3349174 -0.76506054 -1.4859488 -1.7666378 -3.7284083 0.22132511 0.08415187 -3.9298155 2.3622541 2.3525734 -4.769424 1.2117537 0.055513546 0.3936287 -1.0479128 -0.45072493 -1.2735991 -4.7432985 2.276404 -4.1700788 -2.8528976 -0.6355273 -3.657319 -1.7015457 2.1778646 0.099407315 3.3239615 -0.38245833 -3.4129457 -0.23978573 -1.5364721 -2.024415 4.0355024 3.3178093 1.7814736 -2.3585234 3.3001554 0.80381507 3.6220348 -1.5319742 -1.659068 -1.8548518 -1.725013 -2.494386 0.41744316 0.17627054 0.13216135 -0.8120333 3.7944283 2.250074 0.63936365 0.8455807 2.5497112 2.4155319 1.0066012 1.3679007 1.0537846 -1.0638449 -1.8372333 -1.952649 -3.645159 2.809093 5.057845 -1.4734908 0.9678047 2.8930607 0.8115085 -0.12387169 -0.16590276 0.31060344 2.6294112 -4.3547955 -0.77299106 -1.3376061 -1.4795942 -1.4015806 0.8948881 1.3866973 1.5871686 -1.7083926 0.58197993 -1.3225127 3.3250926 2.1322923 -2.0576124 0.72806954 1.9335603 3.9296846 0.1794071 0.5398085 0.25345287 -0.9706729 0.7494409 -0.99148214 2.5735211 -0.729907 0.7766549 0.12234923 0.19061995 1.5785673 -1.142741 -2.1133826 -1.1390108 -0.020970568 -0.6265885 -2.0064085 1.9951767 -1.4988103 2.8633494 -2.2842276 -2.590429 -4.0846686 -0.94475996 -0.7638829 -0.13765162 0.7349251 3.5720537 0.540348 3.255857 1.9380434 0.938934 -1.6643295 -0.39389333 1.2232946 -3.2356672 4.452492 3.6892939 -0.9106703 1.0715365 5.410461 -1.0168197 -4.262739 2.9284933 2.8291938 -0.011109427 -0.28004378 0.099340156 5.8191686 -1.0385113 -3.5148501 -0.4216513 -0.8465091 1.6307076 3.077988 -4.849153 -0.48309487 1.0177358 -1.5691416 0.5273834 -1.3288004 -1.5409503 -4.6931586 2.259877 0.4302099 -1.7993675 3.5712888 1.562405 3.05785 -1.2141441 -2.9812362 0.8689183 -1.8498684 -2.5436628 0.6864286 -1.2560009 4.9095097 3.7190027 -1.809992 0.6034121 -0.6088315 3.4714248 0.52313584 2.1978085 -1.2972357 -2.1563485 5.1198134 4.4024053 -4.7124267 -4.5428843 2.0443335 -0.7384043 -3.3335307 1.237136 3.323572 0.24232371 -2.9190483 2.2422445 1.7206742 2.264405 2.666957 3.8589413 1.0862342 -1.4102259 0.80599153 -0.20310612 3.081149 1.4323052 0.39181602 -0.2742477 -0.55864537 -0.62814033 1.818941 2.3237123 -0.6124342 -1.6941103 1.8917547 0.96731406 0.7037508 1.4751353 0.8921205 1.2925452 2.0830646 -0.19711034 3.2327275 1.1317244 -2.982814 0.00016803294 2.1387076 -0.6247253 -1.2864002 -0.26694548 -1.8290762 2.8318446 -5.813735 -0.1888099 -1.0123994 1.9506798 -1.7191288 1.5395981 1.6121055 2.216855 -2.394468 -1.7485106 2.598059 1.3894209 1.447982 -0.9651019 -1.3391523 -0.83033556 -1.3770199 2.647252 1.2712675 -0.16780823 -0.14307435 -1.6542168 -0.36652797 -1.3668644 -3.0756216 -0.10301674 2.8539772 0.48980486 -1.3020594 3.2992744 -0.55046487 -0.93053097 1.7344837 -0.6855089 0.10774003 1.2419138 1.1940564 -1.5200362 -0.47545856 -0.9332857 0.71324116 1.8603028 3.6025975 -0.45207626 3.383956 -0.61248595 -0.50739354 -1.3424588 0.48456684 0.45006394 3.3615346 -0.23827054 -0.9511563 -0.53178966 0.49506894 -2.3235362 -3.164627 0.09512249 0.051459983 1.6632798 3.6756315 0.43665403 0.8221495 -0.10985918 2.0039723 1.0141497 3.914119 -1.1781236 2.0554948 -3.543802 -1.950722 -3.6420448 -0.4100998 1.0428097 3.2243273 0.90344477

Alpha-D-Glcp-(1->3)-alpha-D-Galp is a disaccharide that is alpha-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding alpha-D-glucopyranoside. It is a glycoside, an alpha-D-glucoside and a glycosylgalactose. It derives from an alpha-D-galactose.

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Ascomycin is a macrolide that is produced by the fermentation of Streptomyces hygroscopicus and exhibits strong immunosuppressant properties. It has a role as an immunosuppressive agent, an antifungal agent and a bacterial metabolite. It is a macrolide, an ether, a lactol and a secondary alcohol.

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Beta-alanyl-CoA(3-) is an acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino group of beta-alanyl-CoA. It is a conjugate base of a beta-alanyl-CoA.

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Isoursodeoxycholate is a steroid acid anion that is the conjugate base of isoursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an isoursodeoxycholic acid.

7.522554 5.3874497 -0.7425863 -3.71412 -4.6299872 -7.8977666 -4.19124 1.2130646 1.7738482 9.556934 6.033438 -7.376127 -2.297571 8.471031 0.4552916 0.72522855 9.350594 -3.6040256 -10.105183 6.2095466 -9.049884 -9.625083 -9.422334 -3.0344036 -10.007776 4.45363 3.498383 16.057375 -0.9568937 -7.575919 0.28257826 1.1814141 -1.8091009 7.940687 12.646025 -0.56409925 -2.3809202 5.7658024 -5.924518 2.6094196 -7.6547737 0.12087023 10.776905 0.32034367 -3.7669284 -1.5082256 2.934451 -0.30573618 -2.2791758 6.628018 5.936337 -4.361312 6.9863753 -1.0685602 4.3105884 5.343715 1.2095437 6.608824 -1.7430435 -0.6540921 6.852677 -8.119919 -2.1482322 11.565516 -4.44009 -2.9279122 3.2891998 4.5501857 3.3761363 -6.3389306 -4.791937 4.231982 -7.799732 -0.034099966 2.916412 -6.336336 -4.355814 8.494718 3.3431053 3.7543938 -4.180505 -3.463929 -2.0248444 8.014818 2.8642533 -7.9690056 5.8323164 -2.8341453 11.867936 -4.5602555 4.370351 -0.61987513 -3.4417715 2.4913929 -3.7677102 5.4793806 -0.35146663 0.8521382 -3.9019291 -3.0463195 2.5448399 -7.653449 -9.625433 0.011604629 5.4927387 5.0029764 -9.0512705 -7.0725875 -5.84305 9.156028 -9.7280035 2.6469643 5.4836555 -0.20897932 7.824099 -7.141837 -0.15975767 0.33286193 7.048519 8.163046 5.657434 2.6402154 -5.7977 -2.6647527 6.1619415 -11.97941 10.77467 5.498013 -6.264218 7.3414793 4.767384 1.5338492 -10.792813 2.9931777 8.614574 1.6335634 6.8720813 3.1898196 10.665686 7.27855 -6.9488783 1.7844999 1.8541236 5.899576 2.8200622 -4.9507394 -7.25169 7.601589 -5.534663 1.2063493 -2.520418 -0.8290397 -7.886173 1.4663668 4.915918 -2.5573418 8.742623 5.633932 8.524545 -3.1709144 -10.858949 1.7554197 -7.4916806 -5.016505 -11.755397 -4.1077037 10.565068 3.6104677 -7.076927 -2.44352 -1.2803572 4.7267756 1.7059016 2.4313207 -2.973988 -3.45788 2.3074927 11.197623 -2.7461221 0.38466132 -2.1827173 6.2573023 -7.2126493 1.4120103 5.410049 0.18367913 -0.3030868 -2.3728669 3.4960108 4.964818 8.871835 9.148246 4.5769577 -6.842174 1.073643 4.5522943 6.5747275 2.144957 3.1430216 3.9755435 3.2593594 2.4102938 7.4021053 8.440748 5.0867333 4.4519506 3.305233 -0.044213325 2.4416015 6.866842 0.85563093 -2.6907253 -7.2594156 -6.2276664 1.4865988 2.9264686 0.6456274 -5.178287 -0.4412173 -0.50417304 4.315178 -6.2238717 -4.508957 2.2676587 -1.4731668 -8.377459 -5.863788 1.6756073 -1.6579943 6.7211695 0.5651692 -1.7147919 2.8812888 0.6117011 2.5524359 3.5482621 6.9304957 0.16633256 -0.824599 -8.254595 -5.83296 -1.31375 -3.9423091 2.1646228 -3.4146268 -0.27258846 -1.8353727 5.3269534 -3.2210217 -5.801078 5.5710993 1.2099805 -3.557894 4.0978074 0.5465272 8.523794 6.3722234 -5.8022165 -0.96198195 2.848667 -5.3904634 0.7706125 -3.6572814 0.43583974 -3.9776063 -2.463895 2.277105 -3.249613 7.257999 -1.2875808 -2.989669 -1.689413 -1.5237982 5.779545 9.977916 0.682402 -0.11070372 -3.9072206 -2.663509 -6.8194222 -7.7506084 -3.8264065 1.5042 -1.0015576 1.9284394 -9.182427 -11.79835 -3.4394882 10.624421 3.5280573 4.325269 -1.9662187 13.939904 -0.69106346 -4.4543557 -13.558294 0.9980146 -2.4844246 3.8704555 5.334361

Lys-Glu-Thr is a tripeptide composed of L-lysine, L-glutamic acid and L-threonine joined in sequence by peptide linkages. It derives from a L-lysine, a L-glutamic acid and a L-threonine.

-0.9296258 4.954708 -0.773355 -8.319807 -0.6288655 -9.979565 -0.3511151 4.9815855 -3.9832132 0.6597934 3.401085 -9.438959 -0.53937364 -3.9071085 -3.5462627 -4.3197536 -1.7319317 -0.94492733 -9.669475 4.4266806 -8.131166 -7.1145096 -3.6139665 -8.645428 -3.7398372 3.710833 3.8544745 3.5793242 -4.585416 -7.389145 0.88556546 -3.8260663 1.5175644 8.243622 4.0285435 6.2937245 -3.0502043 6.3336368 -0.07298219 10.552224 -2.9054966 -1.0147744 -3.0203016 -1.1193031 -11.093759 0.62048715 -0.9584707 4.107285 -3.4430127 7.313453 5.525269 3.1925423 0.6292181 5.787653 5.3432803 -1.0024061 5.581063 1.7633673 0.42636633 -4.366693 -1.3489175 -6.4683805 8.673926 7.1005316 -5.6204686 4.4504685 5.872174 3.3522148 -0.12772961 1.6634367 1.6157706 6.43452 -7.951399 0.31886432 -4.4457874 -0.7030249 -4.979021 0.8282024 1.6294605 7.363724 -9.531954 -5.010758 -2.5266595 7.294272 5.61646 -4.6791267 0.4693547 6.045961 8.177778 -0.45442122 -1.5737566 0.8941762 -1.1435825 4.8890824 -1.2233456 2.1354089 0.8795841 -1.2340895 -3.360268 3.8013744 3.8677247 2.948234 -4.70001 -4.878241 -0.9629534 -3.0029595 -3.8687444 1.4245216 -0.6538478 6.3813868 -5.968882 -4.087645 -7.5192056 1.0516566 1.7727764 -2.943596 1.6963353 5.999119 3.4503944 7.370079 3.6965547 0.9101088 -7.404184 -0.82874143 3.1993768 -7.730986 10.562681 11.160433 -2.319184 2.170454 11.167943 0.4664897 -5.905217 6.334413 8.0677595 -2.731434 -2.438637 0.32290006 15.498697 -0.7886307 -2.3122423 -2.2154436 1.953755 7.3173623 10.375309 -12.910656 -4.153705 7.1996436 -7.339107 0.58955216 2.9208524 -0.70826054 -6.405443 4.000863 -1.0838666 1.4561193 9.437008 5.946031 8.947748 -3.3356576 -10.086374 0.61797047 -4.122504 -6.8564477 2.919703 -6.8922043 12.647982 4.647412 -4.4554834 1.6001266 -1.5332571 6.665213 2.5129628 0.62965643 -1.6598734 -3.4221947 14.542458 10.222528 -11.772803 -14.064353 5.5488973 -2.813283 -6.7487473 3.5033274 8.258461 5.1960216 -2.4109933 0.46570522 5.3676414 6.800901 8.279786 8.489874 2.161011 -5.761657 -2.6393714 1.8899214 3.7372298 4.8473725 2.6675537 -2.4809487 -6.4991674 -2.5530953 2.8859482 5.421714 -0.3679839 -3.4705064 5.1422796 3.220977 4.763874 4.088202 2.3815541 0.90029454 0.9975354 -2.43429 3.335168 3.4464605 -8.320836 -1.1943331 5.9830837 0.10072267 -0.8732794 4.1245937 -4.9504385 5.1547346 -12.462012 0.13822263 -4.846608 3.6570396 -7.845527 6.258014 0.07900373 3.4984388 -8.858191 -3.5946965 3.3551016 2.755462 6.543897 -0.11295858 -2.3944614 0.08762281 2.0114176 0.854011 -0.15764797 -0.34350887 3.974917 -4.403175 -1.1018128 -2.0329792 -5.3400717 2.6510599 9.075931 2.3271751 -1.9899819 4.9683642 -2.799304 -0.20874342 8.2713995 -5.3993597 1.515042 -0.49348664 1.7155542 -7.3810186 -1.4924324 0.029216612 3.2112622 1.353043 5.372331 2.253413 7.53943 -5.1918554 -3.0906937 0.589504 3.2825892 3.6858428 7.658734 1.2743421 -2.3240247 -1.0367937 -2.3691106 -1.7195427 -5.973096 0.0010331012 0.90388143 1.7268983 8.545624 -1.3762969 0.3356821 2.1700668 4.900341 -1.2518873 11.913736 -2.621823 6.8612933 -4.7655563 -2.3295233 -9.574644 1.1502625 0.067644276 5.6903815 4.2742815

(9Z)-3-hydroxyoctadecenoylcarnitine is an O-acylcarnitine having (9Z)-3-hydroxyoctadecenoyl as the acyl substituent. It has a role as a metabolite. It derives from a carnitine.

2.1209445 4.7195096 2.0583344 -8.017182 2.914186 -8.263975 -3.3688607 4.453875 -7.097989 4.7408633 8.035131 -10.10648 1.7209312 0.84336615 -0.83881676 -4.95106 -1.7980151 4.404712 -14.02678 1.7584951 -5.976238 -7.1934886 0.7431932 -11.915864 -4.66422 7.3286633 1.0468016 12.9269495 -5.4603653 -9.485397 0.038323633 -8.098831 -3.6243618 5.8651185 9.391444 8.221275 -4.498638 15.917823 -1.1650299 9.797623 -3.7002 -8.16154 -2.7137892 -2.1570048 -13.06125 1.8747641 0.07066327 1.7720906 -0.67760396 5.9825625 9.190215 3.450837 8.452464 3.2342365 6.9768987 -7.5883784 3.1755745 -0.22359781 -0.8949012 -5.2426057 0.01771377 -12.194756 3.4052324 12.583769 3.5823815 2.7509341 2.083647 -1.4340131 5.0232396 -5.2355514 0.8221129 1.3860807 -7.532753 6.2406077 -2.742755 2.5753024 -5.18275 6.1185255 2.9203894 5.1942105 -7.5216446 -1.2006669 -0.38088208 8.156976 3.2441804 -2.963473 3.9553604 4.045359 12.508282 -4.4742293 -0.26783216 5.0112677 6.630025 -1.3475058 -1.7992463 1.5216678 2.4046469 0.4595592 4.239984 5.3482347 5.889611 2.9136164 -4.7519417 -2.9179077 -11.2859 3.8715084 -1.3059394 -1.5024678 4.37582 11.238134 -7.9599886 2.01706 -12.685554 -2.1592095 2.7764652 3.6688712 -1.9192942 6.312552 6.3733006 8.6039 13.662564 1.1580169 -4.389102 -0.61998063 3.5658078 -20.246775 11.6596775 16.81233 -2.001313 8.228892 12.879113 -7.5854564 -6.3003635 4.296738 7.354686 -2.1843562 2.9805424 1.8540322 17.17146 0.7687526 -8.275922 1.1264648 0.25269634 5.6633387 13.565065 -16.653004 -1.798374 10.456344 -8.72745 0.80413663 2.3269143 -0.9924443 -13.513523 3.0968068 -4.449832 4.6365576 5.3898473 10.792491 17.091446 -1.6931238 -11.609854 6.5529346 -4.5813203 -9.851676 8.184708 -2.3421698 5.9451885 11.313823 -4.2361298 8.778017 5.3810296 12.096368 0.10716229 5.0079985 -1.3629247 0.6061361 17.707594 6.0734496 -12.018245 -14.54731 3.6472013 1.7992283 -6.7430224 -2.491699 8.203727 4.1651444 -8.368505 3.1509874 5.7861867 9.960687 7.402285 17.359426 -1.5650307 -2.3421197 -0.24174282 1.7892095 3.2664444 7.7553067 5.250556 1.4459559 -6.813956 -0.78861207 3.5729978 2.1629007 4.4229693 -5.2630954 2.1986785 -1.1622145 4.1510453 2.6129868 -4.407642 0.036120914 3.8239403 -8.039786 -0.658919 -0.82179976 -5.72615 -2.0907829 9.999449 -4.0983453 -3.1802788 9.1009655 -5.5572567 5.0293746 -19.591667 0.9303161 -6.675163 1.6133076 -5.7005234 6.6032696 5.53764 4.649258 -5.3433185 -7.7760835 5.8444066 0.79692566 13.036139 -1.7162836 -7.2694545 -1.466773 -1.3651246 -0.3243366 3.8057797 -3.6334085 4.9143386 2.744717 -0.78928274 -0.07410701 -5.211562 7.288644 7.329477 3.5078733 -1.3401637 2.838892 0.9129175 -2.8030887 9.507102 -5.711802 -5.789501 -4.428451 4.840537 -7.7544146 -0.43352795 -5.734499 7.8372126 3.2708502 2.3551006 -6.3074446 9.563653 -3.38688 -5.799837 -3.2243497 3.490535 5.930224 4.0451035 10.495992 -2.4452138 -3.9344177 5.3804493 -7.484601 -6.825474 0.5821777 -3.338842 -0.21089569 8.868583 5.4853487 4.0900474 -3.752863 5.52116 2.8890266 11.161556 4.6218457 7.3459845 -4.565882 3.6182127 -11.356225 1.8011837 3.7207654 4.9695735 6.163216

1-monomyristoylglycerol is a 1-monoglyceride with tetradecanoyl (myristoyl) as the acyl group. It has a role as a Caenorhabditis elegans metabolite. It is a 1-monoglyceride and a tetradecanoate ester.

1.971761 5.1980066 2.2200358 -6.190583 0.7205222 -4.9583216 -2.7903566 4.6289887 -3.7196136 2.8762374 4.8847075 -6.444018 -0.0054756105 -3.1610582 -1.9205816 -2.922544 -0.6925371 3.7979367 -8.649331 0.13966127 -4.836751 -3.3187816 0.13554922 -9.915822 -2.1912024 4.7323694 0.7009361 5.9874797 -4.688895 -4.8738184 1.3278221 -4.8478174 -2.0980704 4.74353 5.6262784 4.792579 -4.0181165 11.320053 -1.6976109 5.441715 -2.6716056 -5.664818 -0.9100677 -2.762055 -7.594628 -0.23660594 -2.2376907 4.111446 -0.69286513 7.0045896 5.9273667 3.347833 4.5437465 4.1501393 3.942728 -5.1065617 2.3681147 -0.356403 -0.26842391 -2.7912457 -1.452528 -9.304274 2.2656431 10.2358265 4.1542654 0.3663956 0.8241614 -1.6611365 3.035385 -0.25610557 -0.5000263 -0.3370587 -4.136822 4.648788 -2.5057056 0.051099103 -1.8798625 5.486151 1.2792561 1.9632939 -5.9560304 -1.8042469 0.40805602 5.359707 2.5335407 -0.7859189 3.9758174 4.2171206 11.088479 -4.6561155 1.9905583 4.3320127 3.3345304 -0.5234541 1.1150455 0.08242434 1.7567834 -0.10302243 4.2378926 5.1650553 4.8135347 3.026192 -4.5143504 -1.5659792 -6.855285 3.2503028 0.49925563 1.9759861 1.9824798 6.884822 -3.3788712 2.9571114 -6.567905 -1.6725335 1.8251588 -0.6410432 -2.2565143 3.763925 4.774487 6.7157006 8.682312 3.1621468 -6.509713 -1.2491175 2.868246 -10.895687 5.9958496 8.949193 0.924649 5.2972775 8.860588 -4.3565326 -3.9612553 4.468516 6.9423084 -1.2990993 2.6230984 2.922575 12.055307 0.30362853 -6.537419 0.48699328 -0.40802383 4.1579857 10.369026 -12.990078 -3.7997286 9.057309 -6.697847 2.227361 3.19192 0.55985266 -6.3910494 2.462698 -4.0368376 3.2287881 6.3984246 9.373974 12.833984 -1.2786993 -9.119202 1.1769373 -4.8439507 -6.2583914 6.3303485 0.52125376 7.349777 6.6746826 -4.740567 6.6622796 4.2068977 7.806316 -0.5495065 0.28951064 -2.6867962 -0.21878049 12.027744 5.806851 -9.927178 -10.724538 0.65811586 0.5596639 -5.1869607 1.9108863 5.865276 3.34339 -1.1551698 1.4296635 4.2823434 6.910038 2.164585 10.661505 -2.124963 0.2355738 -0.2155444 0.77238286 1.8560236 5.979522 3.524823 1.3964038 -5.280609 -1.0668489 2.9854267 4.1573224 1.8016768 -5.887707 0.21735029 0.37410855 -0.08519748 1.9864066 -2.7246346 -0.7883546 3.9599867 -6.9304175 -0.49281543 0.15273058 -5.860993 -1.7790055 8.0695 -3.2328866 -2.5985267 5.02228 -3.959466 5.3444366 -15.147738 1.3489823 -4.0998383 2.0894077 -5.3340387 5.390231 1.0537863 2.246596 -4.2162414 -4.833416 1.272483 0.43871295 9.765638 0.5462293 -4.959875 -0.14472833 -0.31835514 -2.2010207 3.289665 -2.4987788 4.612957 2.4527302 1.2458884 -1.7505163 -2.9039218 6.0087476 5.374144 0.02167949 -1.2982402 0.9161933 1.3909332 -3.4550955 5.119713 -6.6897774 -5.0702767 -2.4608293 1.5572639 -5.36354 0.3688776 -3.8916323 4.89881 -0.2761999 0.40418598 -5.0527105 6.443139 -3.4596019 -3.2072134 -2.6535509 0.62199473 1.8194103 2.916208 10.111028 -3.7322044 -4.8351274 5.8732514 -2.413847 -4.278948 -0.7121339 -2.1609669 -1.6872174 8.2169485 2.4246457 1.4742652 -1.113841 5.8864746 4.13709 7.302152 1.5669346 7.1479573 -1.3213251 3.1659887 -7.7887516 3.3660629 -0.87359905 4.106157 5.0517945

Agrocinopine D is a member of the class of agrocinopines that consists of two D-glucose units joined via a (2<->2)-phosphodiester linkage. It has a role as a plant metabolite. It is an agrocinopine and a D-glucopyranose.

-0.14410548 9.22667 4.066667 0.7778154 1.2618866 -20.27177 2.5630527 0.9641919 12.088174 4.2277093 0.10513792 -5.6981707 -8.132226 8.500291 4.0236087 -1.2742765 5.5238185 -6.4806952 -22.637884 11.696604 -6.5455475 -13.451477 -11.039874 -4.909224 -9.096358 1.9437064 1.6069813 6.315956 0.7563688 -4.4063673 1.7380608 -0.13028067 2.9018478 8.072639 16.350407 -0.22778572 -3.6191535 8.694698 1.3904738 -1.1043648 -11.09152 3.469025 -2.9234838 -0.50742614 -4.3631487 0.9134315 0.111387335 5.3293366 -0.9579396 16.785305 7.8462996 -2.910473 9.322784 0.98877555 13.666203 -0.5542676 -3.6482322 7.479577 -5.3200507 -3.5276735 4.4906354 -7.2408695 2.1057255 7.287281 -4.941475 -0.27724624 3.3413615 4.391854 -0.7369977 -6.632799 1.6082076 4.7966533 -9.213199 5.1578813 1.5151733 -4.394233 -14.760946 10.419163 -0.69981176 1.7672143 -5.966241 -6.999316 -4.1106386 1.3531742 2.535933 -0.72135544 10.360516 3.0355618 7.4694943 -3.5841422 -0.5596262 -1.4238986 0.25704938 1.7897048 -1.8798667 -4.095939 9.747877 1.632818 1.3805192 -2.8643289 9.016447 1.2905073 -12.797167 -1.0080392 8.493386 2.563601 0.5283368 3.185614 3.0651863 4.0643234 -7.904077 4.4578032 3.6838093 -1.8545897 13.027397 -8.244818 -4.5267825 3.0220022 9.957028 6.9764915 9.181558 2.6875281 -13.900137 -2.6854985 4.974117 -16.3467 14.032273 7.7824316 -10.673193 8.364836 0.5990522 4.6960173 -10.160311 13.9442625 20.269047 3.476459 7.4651275 -2.3300908 13.835132 12.544771 -6.2957444 0.3270718 3.8386307 4.0623727 20.547003 -5.845759 -7.068925 15.264548 -12.637056 2.3047132 10.6957035 3.3959095 -10.965661 1.8724755 -0.7637296 6.3955793 17.820822 9.99193 17.468142 -4.75923 -14.605602 1.916163 -10.206525 -0.55237347 5.069866 -3.1965413 26.626244 5.812167 -9.815206 -0.7572503 8.269814 11.313171 7.9193597 -2.8810802 -2.7336562 0.7891276 12.440444 9.925111 -0.36323816 1.0004961 -9.725125 2.096576 -8.973323 -0.7736799 2.2022877 -3.3746357 4.8756194 -8.107216 2.6151116 -2.4644885 6.5768614 5.7447805 2.994408 4.7407656 -0.035511374 7.8561087 1.9618927 0.70548433 -0.40629488 1.2287087 0.14916198 -1.905713 5.968807 11.309071 6.7060757 0.8509657 -2.1603553 0.42061418 1.8014939 9.285025 2.94833 -1.1552083 -7.4980364 -1.7021666 -5.563098 6.8328314 -2.0038123 1.7893593 6.442993 -6.6252947 -3.8246224 -4.0588493 -0.27343392 9.4415 -3.4570065 -10.484963 -8.2245 1.3780152 4.8755593 2.026021 1.2329617 3.4482725 2.1618955 3.0904675 -3.6277173 -0.17567259 11.318695 -1.3949237 -11.635401 -5.1500936 -3.6766407 -1.5382279 -1.6094724 -0.9868227 9.174231 1.391352 -0.061637327 -6.199628 -1.3737698 -2.4671345 3.0445814 2.8709779 -5.4796267 4.846218 7.017226 8.383093 -1.1444784 -14.365068 -6.4326587 4.5027356 -7.440633 -5.348658 2.4900527 -0.4213386 2.7117648 -4.096837 6.7458854 3.107292 6.9971647 -1.0745445 0.8577604 2.8408384 1.0938139 -3.1460683 14.794132 13.694051 -1.136668 -8.662421 5.2819414 6.159283 3.3559532 -4.4397693 -0.47888616 -0.6189446 8.474508 -9.353455 -4.164349 -5.3821077 9.568643 2.2721603 2.27256 -6.416351 15.287604 -1.5162531 3.4314635 -12.737737 -2.7488036 -2.078838 6.73302 4.0183554

2-deoxy-D-ribonate is a member of the class of ribonates that is the conjugate base of 2-deoxy-D-ribonic acid. It has a role as a human metabolite. It is a conjugate base of a 2-deoxy-D-ribonic acid.

-0.39195165 3.5893393 1.6904874 -2.7850132 -2.0831933 -5.2334595 -1.4499087 1.4553732 -0.8684962 1.2872967 1.9384712 -3.6120577 -1.5390632 0.2856213 -0.8721969 -0.94399655 -0.5315768 -1.2326546 -5.3355007 2.3417785 -4.183059 -4.024302 -1.6620659 -3.5566912 -1.1155398 1.5998831 1.6678395 2.2145212 -0.9142628 -4.3032494 -0.27443063 -3.7598832 -1.2432472 2.748387 3.0321798 2.263968 -1.2999952 3.8624876 -1.6524101 2.9460773 -2.6039777 -0.9316054 -0.16893242 -0.63897336 -2.7162423 1.1491338 -0.03790459 1.9834666 -1.4524004 3.9077344 3.4154265 0.85003734 2.2939587 2.0481203 2.1208515 0.048996836 2.6069531 1.0961097 -1.4280761 -1.5209906 0.7267988 -3.13308 2.5800693 2.6345046 -1.2812563 0.040605485 2.8079123 0.23236316 -0.4674396 -0.041950777 1.0961078 2.878075 -2.4637449 -0.054734245 -2.7932277 -0.3584782 -1.8812088 1.0875235 0.22305557 1.0324322 -2.609607 -3.1614022 -0.52156395 1.2273657 2.1897602 -2.631952 1.4879888 3.0107505 2.990893 0.47563493 -0.6252502 -1.0133786 -0.6725425 1.1195464 0.6228603 2.9041746 0.110159785 0.75938284 -1.5902567 -0.4023221 2.3849878 -0.24069336 -2.6477501 -3.2650607 -0.7721294 -1.8877791 -2.2981772 2.2551713 0.08352816 0.9562166 -1.8288406 -1.7448031 -2.7571206 -0.70809543 2.3700478 -1.3859452 -0.9295471 1.2030184 1.6713712 2.2900417 2.4269214 0.91439044 -3.6282067 -0.6572452 -0.073182255 -1.3875977 2.9569616 4.5645995 -1.6813238 0.76566976 2.2458792 1.0296471 -2.586965 1.8276653 3.4717798 -0.67950904 -0.69929045 -0.3841521 7.0661073 -0.06019929 -2.0975952 -0.638477 0.15093625 2.8837893 4.9216433 -4.344053 -0.05646199 2.5809379 -0.8427102 1.218396 0.6009119 0.43417594 -4.8911357 0.40163377 0.57425535 0.71730334 3.6674101 2.7531662 4.1805367 -0.88975716 -3.9689982 0.4292024 -0.84413004 -2.6195176 0.9516827 -1.4960405 4.688836 0.024531117 -1.1822424 3.103193 0.30898494 3.4651399 1.8534765 -0.7744416 -1.3576814 0.71741956 4.785946 4.5261207 -1.3974651 -4.216137 -0.1171684 -1.1899997 -3.502716 1.9707527 1.7743227 -0.5653483 -0.33031723 0.87851804 2.458546 2.5283527 3.1668925 3.9411306 -0.15705615 -0.3522362 -0.49743015 1.7180369 1.7579054 1.639009 -0.10187964 -1.3717945 -1.3412573 0.73002434 2.218333 2.3863447 1.6807979 -0.8720669 -0.5121978 0.3467847 1.2673424 1.4895581 1.9203912 -0.6477261 -0.096238635 0.32105142 0.0027898774 0.8055944 -2.5571237 -0.78499055 2.5573573 -1.2160754 -0.37793294 0.8699898 -0.19944781 3.096036 -4.049923 -0.6806253 -1.025905 2.0175662 -2.6962502 1.5434602 0.6636294 1.0983293 -1.6387069 -0.25941375 2.3794074 -1.741499 2.5371323 -0.013196841 -2.782703 -1.094149 0.90020823 -0.5256913 0.23085193 -1.5899283 4.63646 0.22714473 -1.7401447 0.1553916 -1.394031 0.79183626 3.8458 1.6545864 -0.5816821 2.2574875 0.123289384 -1.4553292 2.2905817 -2.0564682 -0.9482978 0.43954572 1.6130776 -2.7316413 1.0964259 -0.5363286 0.20089163 1.5993943 1.0340717 -0.1794254 3.1304545 -2.2951715 0.7019618 0.6447951 -0.443025 0.92933166 4.1210313 3.3375378 -0.22683166 -2.6466212 -0.43407032 -0.046144843 -1.5228107 1.0261211 0.3507924 -0.35834685 4.3841147 -0.64631146 -0.36488107 0.24860488 3.1058881 0.042606175 3.8515005 -0.42549634 4.137515 -3.8480859 -0.7081135 -4.6743517 -1.921762 0.11081198 2.757892 2.1487596

Filicinic acid is an enone that is cyclohexa-2,5-dien-1-one substituted by hydroxy groups at positions 3 and 5 and geminal methyl groups at position 4. It has a role as a metabolite. It is an enol and an enone. It derives from a phloroglucinol.

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Milling yellow 3G (free acid) is an arenesulfonic acid that is 5-chloro-2-(pyrazol-1-yl)benzene-1-sulfonic acid in which the pyrazole ring is substituted by methyl, 4-(tosyloxy)phenyldiazenyl and hydroxy groups at positions 3, 4, and 5 respctively. The monosodium salt is the biological stain 'Milling yellow 3G'. It has a role as a histological dye. It is an arenesulfonic acid, a member of azobenzenes, a heteroaryl hydroxy compound, a member of pyrazoles, a tosylate ester and a member of monochlorobenzenes. It is a conjugate acid of a Milling yellow 3G(1-).

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Alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-L-Rhap is a branched amino pentasaccharide consisting of a tetrasaccharide chain of alpha-D-glucose, alpha-L-rhamnose, N-acetyl-beta-D-glucosamine and alpha-L-rhamnose residues linked sequentially (1->4), (1->3) and (1->2), to the non-reducing rhamnose residue of which is also linked (1->3) a further alpha-L-rhamnose residue. Derived from the Shigella liposaccharide O-antigen, it shows antigenic properties. It has a role as an antigen.

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Esomeprazole magnesium is a magnesium salt resulting from the formal reaction of magnesium hydroxide with 2 mol eq. of esomeprazole. An inhibitor of gastric acid secretion, it is used for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome. It has a role as an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor and an anti-ulcer drug. It contains an esomeprazole(1-).

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Phenoxymethylpenicillin is a penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain. It is a penicillin allergen and a penicillin. It is a conjugate acid of a phenoxymethylpenicillin(1-).

-2.0951617 2.9540136 -3.615424 -2.803627 -0.9144513 -8.428648 -2.880679 1.443947 -2.0487185 3.577011 3.14385 -4.863872 -1.0507758 1.0080401 0.6517577 -2.8391361 4.173798 -0.11965288 -7.823674 4.813421 -3.426135 -6.8453317 -2.9797096 -3.9354765 -1.030396 0.6923027 0.7361064 4.7265873 -3.1154904 -7.7167387 -1.1189134 -1.1110208 1.9128493 6.406008 2.841538 5.100229 -0.9362068 1.6384207 -2.8407054 2.866475 -5.0379887 4.933212 4.9058137 -1.4091369 -5.3576045 -1.1608846 4.6132307 -1.1546934 -2.106189 1.603866 6.526634 0.5082025 4.722567 2.483665 0.056883723 1.9788898 -1.4234818 -0.64381874 -3.250622 -2.0070553 3.8390398 -2.5357122 0.6836848 5.074494 -5.1347113 2.246628 2.5360649 2.2077827 -1.6606321 2.0444856 -1.3139148 4.556295 -7.929788 -1.559619 -2.0195382 -5.2145743 -6.1737037 4.0912347 3.6136572 7.3867297 -0.55248326 -5.1585193 -1.0677848 4.5144386 0.17910162 -1.3567746 2.6836715 1.1291648 8.561991 -2.0355835 -3.5134637 -3.8976085 -0.73278683 6.1640244 -1.8703717 4.4401536 1.94249 0.7205291 -4.978614 -1.170864 1.1024966 -5.8103065 -5.7821836 -1.9642581 4.160919 -0.19692747 -3.0008013 -5.952614 -2.3426597 6.394485 -2.5682533 -2.83439 -6.2944574 -2.9612079 4.674489 -4.0233126 4.71163 2.7572486 0.16909307 5.554956 1.2919474 -2.529782 -4.1927814 -0.6076795 8.448352 -8.360254 9.652834 4.541597 0.4914235 4.03165 5.116332 1.5201343 -7.699077 6.967433 9.086154 1.1883715 -0.24025163 -1.178988 5.8978434 4.4484453 -2.2982466 -0.37340283 -0.66330314 2.81934 11.928254 -7.5316815 -4.2218556 7.211292 -4.443287 0.11343686 6.68205 -4.3630147 -7.573399 1.4016057 0.36846656 -1.7468427 7.0229464 2.0615819 6.2465534 -7.9782453 -6.847628 -1.0081886 -9.428387 -0.820277 0.19446789 -3.890378 16.113329 6.7704463 -6.686089 -4.8742228 0.63977015 1.4478395 8.478594 1.1894791 0.46457112 -5.8625317 6.5986753 6.45259 -6.5920987 -0.3550348 3.426094 0.8771818 -6.262003 -1.8177197 2.8755722 -0.5550647 -4.859401 3.6543713 -0.8641653 -0.10241504 10.199776 -0.43648973 2.9022577 -2.8167453 -1.7572439 -1.3403622 4.2107973 1.8922151 -0.6470482 -0.23698878 -2.0827196 -7.118813 1.8739072 6.6153727 -0.47900385 0.5620409 3.733744 -1.4169031 3.7810268 2.7551286 3.3520503 2.171724 2.0068514 1.9458604 5.276898 3.4619174 -4.853343 0.07194488 0.4330544 -1.4351671 3.911364 -5.2665596 -6.3144765 -2.1625934 -8.873152 -1.8388665 2.6305423 0.87744534 -3.4637258 1.0295322 2.064275 6.0393286 -1.2475158 -2.2013268 -1.8753884 1.1502004 -0.26689693 -1.4380406 -1.6848931 -3.5493398 0.30127954 -2.3229854 -2.8957076 0.12623617 -1.2005032 -3.3652494 2.8152347 0.14419007 -4.105558 0.36308193 5.1588697 5.4645557 -1.6725763 -1.8527079 -3.7922707 3.2282958 4.6344395 -3.5044353 0.79642725 -4.4829783 -2.4307485 -4.537954 -6.1329403 0.5682382 -2.9010527 -3.5017004 0.1592108 3.8804533 4.020021 1.1565434 1.2123835 -1.4822096 2.8919978 6.508992 8.382886 -1.2498058 -0.9405522 1.3087415 -3.1816792 -1.7324884 -6.0905247 -3.9718962 -2.080587 3.9755979 3.3923147 -2.447747 1.4073045 2.647194 5.579845 0.69254816 7.5476284 -4.003591 8.601231 -0.84566534 -0.1542716 -9.65063 0.81968963 2.1119447 3.9401302 5.0493674

Heparosan L-iduronic acid zwitterion is a zwitterion derived from heparosan L-iduronic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a tautomer of a heparosan L-iduronic acid.

-0.9466493 5.7235665 3.8183894 -0.707394 -0.6196377 -17.474707 1.5457911 -0.1671121 9.014984 3.7999616 -0.017266218 -4.447308 -8.15052 4.4838357 3.2124953 -2.5897505 2.631396 -5.778436 -17.06374 8.602324 -6.3857126 -11.261893 -9.079635 -4.6870384 -6.6174736 3.3783388 1.7369181 3.9193094 1.2658806 -3.6706135 0.7870737 -1.8626733 2.6741168 7.6846757 14.280979 -0.36428833 -3.8473134 7.1594934 2.093791 1.0963986 -9.664482 1.5571512 -1.6539875 1.3964397 -1.837291 1.0493296 -0.20333734 4.5276494 -2.1103127 15.807733 6.847697 -2.9161615 8.33966 1.1496104 11.916497 0.68843216 -3.5691478 6.1616015 -3.9414666 -0.6157695 3.6063733 -5.4706507 -0.41537404 3.7539248 -5.086767 -0.18686411 3.0722373 4.203115 -0.94195455 -6.5884447 1.2943635 4.419881 -7.4693036 1.8967736 -0.59570765 -6.2257624 -13.912608 8.082558 -0.8010315 2.3685215 -6.6503572 -7.5633907 -3.9856548 2.2740974 3.820273 -2.1375122 7.0162263 3.2139096 4.3476133 -1.4430113 -0.28077 -0.369174 -1.7460564 2.433993 -2.8649018 -3.8367264 6.3281913 2.4172416 -0.11164512 -4.182492 7.4936986 -1.7831805 -10.858782 -0.3616617 8.372737 2.8192708 -0.6063575 0.4592996 1.2352723 2.188779 -5.9877024 4.5142055 4.038852 -1.178797 12.921999 -8.029409 -2.3587809 2.8433385 9.433721 6.0112233 8.871948 1.3545356 -9.753322 -4.120878 4.5279527 -15.043793 12.777413 6.416685 -10.02738 5.099569 0.31204018 3.1765275 -8.751664 11.571743 17.039576 4.3153434 6.138268 -2.6800776 12.028617 10.054941 -5.6784725 -0.66712844 4.0176344 4.3021326 17.025375 -4.5333905 -5.1005273 11.970138 -8.870502 1.6579849 7.37321 3.7185445 -7.3116426 0.4872786 0.33649477 4.9183946 14.961041 6.091778 13.542382 -3.5264735 -14.378645 1.7602608 -5.535487 -0.48694608 4.4991875 -3.933325 22.018284 5.4996376 -9.179635 0.20919946 5.7695603 8.490934 6.047641 -1.9662837 -1.8946583 0.76236653 8.779607 9.1820545 -0.50584006 -1.1590528 -7.554247 2.4839911 -8.606845 -0.90155756 0.13305539 -4.6614757 2.2867835 -6.9330444 3.3903644 -0.19379431 5.916566 5.318277 1.6945627 6.4723587 -1.7670305 6.1022916 1.9167737 0.79131275 1.4791781 1.4523724 -0.1903669 -0.82150364 4.5683084 11.101308 4.033284 -0.37060565 -0.84749496 1.3556256 0.40181667 7.2486863 1.1522105 -1.7520155 -6.289535 -2.697551 -3.3861556 5.743073 -1.7881936 -0.11203286 3.4946394 -5.2150064 -1.8724862 -2.5586452 -0.36692834 7.809241 -3.1250205 -8.879306 -7.346621 1.0269666 2.4309762 3.095408 -0.13319784 3.0805988 2.190287 2.7354198 -1.150848 0.34728295 8.882006 -0.9909921 -8.905675 -3.523422 -2.3730497 -2.339882 -2.633514 -1.0368962 6.401262 0.9555261 0.90683484 -3.9290228 -2.7444243 -2.214149 3.6616743 2.3520043 -5.95759 6.0457373 6.3070946 7.776808 0.55722004 -13.540442 -3.9044933 3.8498473 -5.5625024 -4.124657 2.5035148 -0.5762994 0.77941227 -2.7742786 5.46272 3.968915 8.199144 -0.06747645 0.2479819 1.3282955 1.7990057 1.307149 12.084149 10.382634 0.9287553 -5.6904564 3.748176 4.7805476 1.2030963 -3.14701 0.8000004 -0.6664361 7.94702 -7.774903 -5.3408794 -3.5574992 9.674544 3.4458902 4.367966 -4.9405055 13.14625 -1.7435893 2.1676784 -12.250883 -1.9890605 -4.1880364 7.325071 2.5613132

13-hydroxytetradecanoate is an (omega-1)-hydroxy fatty acid anion that is the conjugate base of 13-hydroxymyristic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an (omega-1)-hydroxy fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a 13-hydroxytetradecanoic acid.

1.3183713 2.2488346 0.93483925 -5.4190297 -0.44242746 -3.9671352 -1.3138309 4.031965 -3.2404373 2.0242412 2.8553288 -6.1638055 0.014174432 -1.9589431 -2.0530422 -3.2468965 -1.7769096 2.1175096 -5.768723 -0.11620841 -5.073646 -3.7991061 -1.3624276 -8.802241 -1.8021195 5.2469893 1.2135124 5.7674613 -3.4914916 -4.134749 -0.17642757 -4.4192967 -0.5692657 4.53297 4.551503 3.9622061 -3.4052813 8.877622 -2.2834892 6.1969075 -2.2294774 -5.8985777 -0.1315415 -1.3344506 -6.7617683 0.1575633 -1.58278 1.8756437 -0.84497505 4.4533286 5.223899 2.0807056 4.040455 4.288288 3.3825922 -3.6647642 2.4267054 -1.171755 0.38279882 -2.0211928 -1.0869884 -7.360564 1.1448467 7.674679 3.2037401 0.22962883 0.85700744 -0.62447846 1.8669925 -1.6145844 0.55844355 0.62848306 -3.8358119 2.7731054 -2.8436677 -0.50708765 -0.9921369 3.0284858 0.65717554 1.7076668 -4.70278 -2.329236 -0.22345875 3.8021672 1.8719571 -1.4287002 1.9429308 3.1290908 7.002469 -2.8908532 0.2785806 4.02051 2.709423 -0.49998447 -0.13536856 0.5374015 0.6413379 0.034646876 1.944224 4.518088 3.8584504 1.9955367 -3.6628578 -1.7304618 -5.5942793 2.7952604 -0.098891325 1.1197186 2.0493023 5.2216816 -3.2835543 2.4696193 -5.555801 -0.51357853 1.033891 -0.9650344 -0.053549647 1.9661131 3.4791627 6.1765013 7.2123847 2.2502012 -4.9922633 -0.30655128 1.0049144 -8.225767 4.520429 7.119598 0.03946603 2.524245 7.9066343 -4.6428804 -3.0852263 1.8280578 3.9055107 -1.6616513 2.5267758 1.6423107 9.94178 -1.2824781 -4.4755955 0.70982367 -0.23165229 4.502351 7.1120944 -10.042472 -2.845977 6.266391 -4.3856573 1.1420937 1.6370143 -0.5958001 -5.772388 1.962073 -2.6582878 1.7897365 4.52287 6.4599023 8.334752 -0.22122616 -6.8507943 2.0210693 -2.9313385 -5.759352 4.166007 -0.59449154 3.820637 5.5736957 -2.7417917 4.573528 1.4946288 5.6086535 -0.7880009 0.48626935 -1.6894553 -1.3390472 8.297164 3.9743602 -7.3695474 -9.440973 2.0638187 0.49550426 -3.605468 1.468947 4.643705 2.737743 -2.2948499 1.5132302 3.5488558 6.98559 2.8374593 8.8627405 -2.2280195 -0.8166274 -1.6920309 0.94264317 1.0376378 4.899026 3.0599926 0.18675889 -5.1861105 -0.14058378 2.6956909 3.6035979 0.82218295 -5.405005 1.1233156 0.50958294 0.9371645 0.86915255 -1.9016279 -0.8785672 2.1071 -5.411806 0.7385285 -1.2068235 -5.4846525 -1.2672989 5.3144264 -1.809128 -1.8849504 3.118368 -3.3541567 3.473659 -11.93602 0.7530751 -2.2377007 1.0005026 -5.1081953 4.8188963 -0.16654944 1.6726708 -4.386782 -3.1651773 1.8679097 -0.38161895 7.2598286 -0.147005 -2.0397248 0.7196976 -0.3861536 -1.3322525 1.672108 -1.8596727 3.4888957 1.4124783 0.87744325 -0.9189513 -3.0602376 3.5413532 4.885474 -0.31070498 -1.2392768 2.4383109 0.14090423 -1.7110386 4.68366 -4.524571 -3.73035 -2.4382532 1.6233048 -4.1030583 0.2003647 -2.1528912 3.0023673 1.249869 0.9608208 -4.306646 5.162537 -2.690434 -3.3357244 -2.1042008 1.9191633 2.732031 1.9665359 6.27144 -1.1545132 -2.4492745 2.633367 -3.3391151 -4.437108 -0.51171106 -1.8888307 -1.9004326 6.1418943 1.8350717 0.18223003 0.02951574 4.3581996 2.9672167 6.9593306 2.1774008 4.355372 -1.4214108 0.7755858 -6.176359 2.8281586 -0.051307067 3.8706644 3.6084685

L-aspartate(1-) is an aspartate(1-) that is the conjugate base of L-aspartic acid. It has a role as a human metabolite and a fundamental metabolite. It is an aspartate(1-) and a polar amino acid zwitterion. It is a conjugate base of a L-aspartic acid. It is a conjugate acid of a L-aspartate(2-). It is an enantiomer of a D-aspartate(1-).

0.9089819 1.1533395 2.0695248 -2.9057937 -1.6764687 -4.880606 -0.22975555 1.6006715 -1.2691984 1.5493718 2.9461412 -2.5360248 -0.46341738 -2.1444604 -2.088848 -2.2101643 -2.5396147 0.058715433 -1.6931063 0.82363164 -4.865433 -3.7780876 -2.7206573 -3.3591044 -0.34866077 1.7448277 1.8660741 1.2991667 -0.22743553 -3.042728 -1.5298426 -4.719814 -0.34648234 2.0136259 1.9437684 0.9471452 -0.2165 2.3781736 0.80124736 4.9216228 -2.379124 -2.5976973 0.22022453 0.45908022 -2.1450226 1.7152617 0.40803665 0.3511956 -2.1254096 1.6326308 4.636571 0.32233268 2.043983 2.1360583 1.8439833 -0.20458281 2.1405354 -1.0593486 -1.5351808 0.3691222 0.9651878 -0.9307401 0.6326218 0.7056957 -1.7568325 1.5291041 1.8563017 -0.42878222 1.4902669 -0.71760845 1.1610389 1.9845821 -2.39213 -1.3974733 -3.117021 -0.49392226 -2.0070004 -0.9075537 -0.8509291 2.286971 -2.0116632 -3.4730544 -1.1473116 0.8060958 1.5818539 -2.2137058 0.0072348043 3.4421315 -1.3694777 2.3702438 -0.77003783 1.5703759 -1.3940495 0.94228345 -2.9310791 1.5045623 0.5983294 -0.462513 -1.6686944 -0.9857874 1.4737773 -0.22439863 -1.8534087 -2.295352 -1.9753258 -1.2444414 -0.3956347 -1.6289954 -0.2661231 1.0526668 -1.3280278 -1.5909265 -1.9403995 0.96332026 2.4289505 -0.39633983 1.9587219 -0.3049768 2.2980251 0.7720232 3.153227 -1.4686843 -2.406156 -1.6877089 -0.44644028 -1.8905683 3.0248756 3.9853895 0.18134639 -0.6673803 2.9179773 -0.2781508 -2.4679644 0.96836895 1.1582063 0.72753656 0.8854434 -1.261352 5.1396065 -0.86463785 -0.36970797 -0.656298 0.794569 3.8346858 3.7740936 -2.4367342 1.2272565 2.1426811 0.2844469 0.78806937 -0.086452566 1.4635947 -3.5966074 -1.7737986 1.1342143 0.27023566 3.4317155 1.0152674 1.4515672 0.4661615 -3.848422 1.6865159 0.056852326 -3.1163876 0.5380112 -4.9566274 2.6532636 0.9157308 -2.9692369 2.3437784 -0.09824942 2.0065935 0.8859442 -0.3436064 0.98312145 -0.831305 3.2253978 1.8610587 -0.056559265 -4.5509353 3.6464868 0.4364153 -2.1214738 0.7278435 0.63721603 -1.0997237 -2.7547917 1.2206895 1.6806335 2.7233188 3.8770676 4.945241 -0.007140979 -0.54052854 -4.233047 1.134489 0.76011616 1.3123516 0.76174647 -0.9097645 -3.9584634 -0.054734927 0.9488016 2.6380038 -0.51840705 -0.40506685 2.0722132 0.8393556 1.7841634 2.4859972 -0.72072154 -0.8000813 -0.5418855 -0.015942842 1.6608508 -0.64674896 -3.0169914 -1.7805681 1.080462 0.8646282 0.591454 2.0453 -1.4900723 1.4410911 -3.975734 -0.78222215 -0.15409952 0.025200248 -3.0083086 1.6363987 -0.6635219 2.3366954 -2.3270142 -1.0213981 2.7464638 -0.5604138 2.656269 -1.0276414 0.181104 1.0175298 2.8187516 0.55237436 -1.2273594 -1.3341988 1.7956178 -2.227161 -1.1265343 2.4567037 -2.7692947 0.6656081 3.3211234 1.6258484 -0.71541286 1.9581332 -1.053434 0.36495802 2.542444 -3.4101856 1.8250649 -0.8164121 1.5826299 -2.0672061 1.7195951 -0.80776936 0.35420084 1.9009483 0.9571258 0.21691695 3.840632 -0.8866451 -1.4197633 1.2559389 3.2833636 3.493568 3.0387573 -0.6778152 1.8013097 -0.6103489 -2.8285284 -1.6720273 -1.6302152 -0.31909633 -2.183264 -1.2702197 2.8848453 -0.19402362 0.44328487 0.0435961 1.2852975 -0.9294899 6.1865883 1.3097736 1.6309235 -2.6130922 -0.7009791 -2.9712548 -1.2152911 0.004503846 3.7022262 1.2326763

3,6-anhydro-L-galactonate is a carbohydrate acid anion that is the conjugate base of 3,6-anhydro-L-galactonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a marine metabolite. It derives from a L-galactonate.

0.47653526 2.7411158 0.48951522 -1.3209465 -3.0904517 -6.4577293 -1.0996002 0.37785932 2.0811398 1.6592132 0.8191903 -1.8847452 -2.2635288 2.0456002 -0.4651748 0.53737384 0.692984 -1.2014561 -6.9910927 3.2620945 -3.6849098 -5.8778524 -4.019485 -2.7945237 -3.3084428 1.3157096 0.6358687 3.1135182 0.5489113 -1.9763762 1.4047999 -2.9012475 1.2732364 3.6191125 5.5585284 0.5880364 -1.3036352 2.5161474 -1.4095193 2.097277 -5.222868 0.9350232 0.77012944 0.9147201 -1.4317447 -0.20495056 1.0880791 1.7161076 -2.6437285 5.6387453 3.8097544 -1.3330716 2.559487 1.2797161 3.3213778 1.0190532 0.50915706 3.1643772 -1.3687509 -0.032448784 1.362797 -3.194168 0.28419578 2.9193857 -1.7358907 -1.0857364 3.2777863 1.6730263 0.43339276 -3.0875049 0.55070925 2.676735 -2.806681 -0.1193317 -0.076312184 -2.226996 -4.441924 2.9411874 0.34838706 0.9356959 -3.5099497 -3.9456067 -0.9216849 0.5995134 1.5792058 -2.4844303 1.824904 1.2064117 2.6267116 -0.4706515 -0.4092243 -1.3698747 -0.8498601 0.68816686 -2.4440007 1.2966772 1.9065068 -0.5299888 -1.2892512 -1.7901213 3.1749196 -1.5223603 -4.319348 -2.2969792 3.7185862 0.33646625 -1.4806781 0.6498299 -0.15170592 1.3823076 -1.769668 -0.69333315 0.60441947 -0.24528867 6.257536 -2.8976333 -1.399386 1.3751873 4.254019 1.8016722 2.386759 0.25866434 -3.9676259 -2.0342736 1.7742182 -5.2895465 4.2387595 5.0017037 -4.067463 1.3921796 0.39884508 1.3930428 -5.1958513 2.9145765 6.544802 0.9562906 2.412441 -0.89811134 5.4487667 3.1055636 -0.64245313 -0.13302131 0.4947908 2.7831829 5.2550855 -2.6649318 -1.6466105 4.6345277 -2.3001328 0.17424828 1.1742185 1.3408101 -3.6569605 0.30848023 1.1156902 1.3138677 6.8582506 2.3855379 4.2980695 -2.1218712 -6.044363 0.05926262 -1.701483 -1.7045499 0.5591325 -2.45844 7.6599336 2.2611978 -3.0190709 -0.44888386 1.3720307 3.6281354 2.0862596 -0.97376096 -0.9788519 0.16661565 4.196055 4.4558845 -1.1832705 -0.96294385 -1.306064 -0.5436336 -5.055988 1.2171199 0.5245036 -1.0567235 1.6313226 -1.9553789 1.6283594 0.6628983 3.1724136 2.8787992 1.4845215 1.0563924 -1.1116205 2.973615 2.252022 1.343682 0.42113832 -0.5212209 -0.973935 0.8950343 2.3020806 4.753297 1.7523108 -0.2368313 1.1050764 -0.57896 0.7192054 2.071596 1.9333843 -1.2756059 -2.016152 -0.29922634 0.21384417 2.5270934 -0.6834944 -1.0962106 0.764975 -1.470453 0.85049796 -0.9656721 -1.5991135 3.4440703 -3.0388803 -2.7527428 -1.9504333 1.2686731 -1.0842371 0.22333235 0.53329813 0.9036161 0.028805673 1.4094349 0.9604219 -0.842376 2.999676 0.36393952 -2.9505186 -1.9244722 -0.61451197 -1.153879 -2.1028292 0.2122003 4.1292286 -0.42710108 0.35875815 0.23221698 -1.8494163 -1.1404436 3.4208891 1.6498244 -2.236455 3.2770412 0.589064 2.0106103 2.1051617 -4.563602 -1.2320678 0.8001042 -1.610975 -2.0152617 0.7514414 0.19550717 -0.64462465 -0.7985548 2.12599 0.42153862 3.8037553 -0.21685235 0.5384479 0.42208713 0.42922413 1.1815991 5.5350914 3.9257376 1.4494191 -2.424019 -0.6132184 1.3736749 -0.58129025 -1.1105678 0.21470028 0.63189363 3.0258243 -3.080665 -2.9845238 -1.3292086 3.4805453 1.0116364 3.1507459 -2.4497628 6.4793634 -2.5830889 -0.055436343 -5.8944426 -1.0925045 -1.9097033 3.1440153 1.8794545

(1->4)-3,6-bis(phospho)-alpha-D-glucan polyanion is an organophosphate oxoanion obtained by global deprotonation of the phosphate OH groups of (1->4)-3,6-bis(phospho)-alpha-D-glucan; major species at pH 7.3. It is an organophosphate oxoanion and a polyanionic polymer.

4.099698 8.400772 3.7032557 -0.3358356 0.6879273 -13.515206 1.032654 4.526189 6.9787016 4.0833883 4.3235188 -4.022126 -5.1985946 4.7529364 1.7033787 -3.9106307 1.5462933 -2.5072339 -13.228045 6.5908656 -7.5368676 -9.796393 -8.999967 -2.919689 -8.424287 2.2144198 0.27697232 3.8318844 -1.562448 -4.1961827 -1.5035148 -1.1187053 1.5385163 4.765102 10.698846 1.2546289 -0.16747713 6.5513678 -0.49803597 -0.093011156 -8.712636 2.1081076 -2.0293086 -2.2859488 -3.8818917 3.0945556 3.007626 0.42767853 -2.8030913 5.0210495 9.486368 -3.0860376 7.200543 2.2148385 10.265762 -1.7766945 -1.7834606 1.4025522 -6.497609 -2.6565783 4.7967386 -4.846166 0.9671497 4.6249447 -0.2721523 1.339006 3.0246203 1.737681 1.9051452 -4.7650757 0.93341315 3.5978086 -7.2904344 2.4422746 0.30201143 -1.6331801 -10.806935 4.8741293 0.25201178 0.86053586 -3.044547 -6.781606 -3.184341 -1.7863714 -0.034886792 -0.50884676 8.631145 4.0630326 5.0972333 -0.73245776 -1.5283526 -0.15950704 0.8670238 -0.67023546 -4.163164 -0.050306156 10.167556 -0.22639483 2.9035547 -1.3318425 6.9177294 2.3029964 -7.738892 -1.46668 0.48853862 -0.8892997 0.74889576 -1.3205254 4.7335763 4.3246613 -7.0820255 0.44849247 1.3068194 0.30304635 10.4097185 -1.3442122 -2.271757 -2.1562042 7.3280807 3.0468006 9.067517 -0.23339733 -13.059177 -0.97543734 3.5385892 -10.860587 9.936509 6.987917 -3.6064246 6.2753115 1.7998832 2.3296046 -6.9357495 8.06095 12.276094 2.8366115 8.605487 -1.9989352 8.924137 6.6565886 -0.9637499 -0.15793315 0.2355309 3.7467153 12.62198 -5.127758 -1.5026035 11.604063 -6.370348 1.577717 7.167167 3.1270666 -8.679322 -2.7122993 0.67223513 4.79335 10.195242 7.5419035 9.69872 -1.9867481 -7.879325 3.4146016 -7.4491677 -1.3187966 3.3778043 -4.81541 13.990402 2.9970002 -9.63796 -0.16991144 6.687277 8.383706 5.229623 -2.8734078 -1.8606796 -1.0530293 8.832112 5.9737225 5.558767 -0.44128627 -5.6116467 2.7354763 -5.765216 -2.4269612 -0.15066573 -2.6695201 3.1826847 -4.105541 2.4491444 -0.82691646 3.1561337 6.79137 2.2168489 2.9193606 -3.2503903 2.8800862 2.5756817 -0.3740846 -4.0143085 -0.08583377 -5.0136213 -2.9127731 5.487401 8.702555 4.8252997 2.5183134 -0.5090537 1.784532 4.2715416 7.9556627 0.6081214 -1.8781197 -4.8569684 -0.63663673 -4.4815283 2.1300695 0.015530132 2.0884209 7.0995812 -1.5720524 -3.6318724 -3.7434003 -1.5103501 5.419063 -2.4981437 -8.464967 -3.1162894 -0.6060255 1.1823184 -0.30907118 -0.7222173 4.522159 1.2353201 1.7448092 -0.9086442 -1.1404091 8.717138 -3.6681283 -4.1589212 -2.9137704 0.28150907 -0.58778155 -0.8448919 -2.685834 8.207309 0.79504263 -0.12475589 -1.4077532 1.419295 -1.701485 2.1139004 0.8105442 -1.5361519 1.6725245 2.904838 5.5335374 -1.1203707 -9.09698 -3.0081038 1.4085705 -2.279746 -1.4052819 2.621095 -1.1118791 3.4008775 -2.8697546 1.5679259 0.80987966 3.893992 -1.3510816 0.8508893 3.7540648 4.7040186 -4.0811043 9.993803 7.7726946 1.3251301 -9.042673 2.5348558 4.5492973 4.912773 -5.5373445 -3.997824 -0.9622204 5.060747 -6.8043375 -0.6033424 -4.8018594 3.6779675 0.5696106 4.3714595 -1.50842 7.323748 -2.1200619 2.8543746 -5.738529 -4.4131236 1.5244789 4.604735 4.2308927

Orotidine 5'-phosphate is a pyrimidine ribonucleoside 5'-monophosphate having 6-carboxyuracil as the nucleobase. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of an orotidine 5'-phosphate(3-).

-1.1459754 8.234559 -1.3162308 1.056273 -0.24320053 -12.217182 0.79149294 5.5602465 7.8130374 1.2022344 1.9101264 -6.4882727 -2.8749144 9.064799 1.3259265 -2.0643508 4.4621553 -0.9213454 -16.061262 8.637265 -5.9580927 -8.856765 -7.5389233 -4.8412595 -5.6046214 -0.62811834 -0.2566538 5.1049976 -1.7058988 -5.7290735 -0.783453 -0.30470884 4.916944 6.8571935 9.26692 3.6821532 0.8610592 5.006955 -0.09818289 -0.7869546 -4.8710384 4.5317807 -1.1439407 -3.2650976 -5.5021696 1.1042681 2.913225 1.5315044 -0.32590657 5.4275966 8.044411 -2.006524 3.5947435 4.7158623 6.0405383 -2.5616467 -3.1511173 -1.7898569 -4.302424 -2.5287683 1.3303636 -2.9711266 2.2131956 5.728238 -4.785798 1.9690384 1.6269016 3.9299319 1.7527646 -1.1692504 2.726634 3.4068098 -6.22075 1.9000137 -0.6468278 -2.0748441 -8.573974 7.0849266 2.6434178 4.4665813 -1.9190145 -7.298928 0.0008366257 2.3216739 -0.9590577 -1.8396143 5.3902135 3.026009 5.3991747 -4.786881 -2.27209 -1.6301535 2.003033 1.7826978 -2.4164453 0.18972962 6.119857 -1.6368984 -0.28502128 -1.3839215 2.6135323 0.67533 -10.259405 -1.6026335 4.2069273 -0.6540432 2.2412255 -0.5363157 0.9217818 5.364853 -4.85654 -1.688124 -0.66445833 -1.8133037 8.782559 -4.20498 -0.27594107 0.112100884 6.787438 6.285054 6.480726 -0.53621316 -12.576077 -2.8037207 5.1676884 -8.547239 12.519046 6.447627 -3.2378144 6.9179435 3.691371 3.074518 -10.002582 8.284844 16.15434 2.3381374 6.4865737 -0.42731732 10.587151 10.515477 -0.4063247 -2.2502396 1.3820654 4.8175216 14.545302 -4.543187 -4.3433084 11.081059 -7.8458157 1.6222997 7.986218 0.9749032 -13.785926 -0.4478412 -0.5216143 3.1198683 11.79962 5.371556 8.695108 -5.2205257 -7.60664 0.3931117 -10.093978 -1.7530762 3.4136457 -6.9747868 17.386848 3.7115374 -7.32372 -2.3449056 3.798208 3.9762871 8.041986 -4.15367 -0.04483138 -0.9739367 9.361046 5.1828895 2.1563148 3.8906884 -2.0730908 -1.3088464 -6.0800667 -0.5296105 4.725356 -3.3963292 0.36392733 -2.596784 1.2047266 -3.141841 7.6076174 3.1065655 3.016716 0.5373431 -2.977136 5.0684323 3.30412 -2.2273588 -3.230677 -1.030482 -3.0091643 -4.3848963 4.6057453 6.9986286 3.266607 3.4712265 1.5143703 -3.1824546 3.9068217 6.021373 2.9307072 1.8148701 -2.539081 1.4377184 1.8354752 2.8890398 -1.5635678 2.8628318 3.916848 -3.369184 -2.6878548 -5.78366 -4.400371 3.3203554 -4.9401193 -6.0778904 -3.5051718 -1.4614227 1.1498861 -3.551705 0.8450153 4.6730304 0.21604455 2.059125 -4.039895 -1.6428363 6.3814816 -0.5835706 -4.006102 -2.6523995 0.48312372 -5.1931214 -4.729148 -0.27115837 4.9045105 -2.1519961 2.2085445 -2.3270645 -1.6477325 -1.302751 6.5848093 3.4054863 -0.06270258 2.1085904 0.22741126 5.2718763 1.284045 -10.289417 -2.517157 -0.37166354 -3.228595 -3.8577905 -2.430393 1.4550071 -2.4658873 -2.2536356 3.7272067 0.44171983 2.2199557 -1.3360896 2.2825322 1.6048996 2.9812565 1.0400717 9.834709 6.209314 0.91419756 -4.7893505 0.19417888 0.89394987 -0.95845383 -4.860125 -3.2195485 0.7915907 4.75393 -7.235909 -1.8357214 -3.2102437 5.8495693 0.26088968 1.9297739 -4.8458323 10.535151 -3.7862403 1.6493969 -6.626696 -1.8180691 -0.73726034 4.3524923 4.468712

Nigrasin E is an extended flavonoid that is 1,2,6a,11b-tetrahydro-6H-[1]benzofuro[3,2-b]furo[2,3-h]chromene substituted by hydroxy groups at positions 5, 6a and 9, a prenyl group at position 11b, a prop-1-en-2-yl group at position 2 and an oxo group at position 6. It has been isolated from the twigs of Morus nigra. It has a role as a metabolite and a plant metabolite. It is an extended flavonoid, an organic heteropentacyclic compound and a polyphenol.

0.22595176 4.92512 -3.9449143 -5.243868 -5.0770826 -9.195995 -6.4688935 2.1969392 0.20813301 5.531776 7.9506726 -7.9352894 2.0310338 12.937559 7.5815706 -2.0787032 10.20235 0.112842485 -14.222439 0.7407196 -0.40262637 -12.073458 -4.954579 -5.23915 -1.4296607 -2.3503528 0.5544734 14.884937 -1.6099255 -4.4200726 0.4334018 -4.063519 4.587529 4.5606527 4.9506655 2.9130745 0.357276 4.8499494 -0.12809971 -5.341783 -0.10717402 2.6051064 4.8525753 -10.103801 2.2487683 -4.4925303 5.7692018 -3.923509 1.3497771 7.0530133 8.174502 -4.754568 7.0230885 7.04066 0.27667275 6.567362 -9.824562 -1.787612 -1.9202672 -3.0298853 2.778093 -3.9703994 -5.0704923 8.838037 -3.1919343 -1.1387048 5.1660476 2.5307255 0.8211472 4.4478617 3.5862417 -0.09136444 -4.558824 0.5084682 0.36299866 -4.6202445 -9.6885605 12.790127 10.29131 6.0399857 -0.6492058 -3.2575715 -0.59373885 4.352234 2.3701117 -4.591937 0.7921521 -6.748279 12.117978 -3.715915 0.11743206 -3.5106802 -0.5459277 0.044358224 -0.57930887 3.3365548 3.169157 1.8929914 -5.4162827 -2.2053218 2.5868137 -11.925316 -12.475367 -2.7448444 6.103259 4.875949 -2.057018 -5.714476 2.2905529 1.3337448 -4.705536 -0.76330245 -3.1043448 -1.3888919 8.952052 -5.9157357 0.06485193 -2.2665026 5.759083 12.298316 4.4758453 0.7132156 -1.7435428 -0.5781914 9.35542 -12.889589 8.583606 6.8620553 -5.2421203 6.153825 2.4943447 0.8186442 -14.207173 3.2604403 16.818693 6.8557596 -1.3211704 -0.04720509 10.329116 11.8335085 -5.5031147 -2.9478955 -2.7058418 6.799476 8.907048 -13.911643 -3.9595044 0.6792549 -11.72243 0.24300383 2.5634453 -2.436637 -19.149052 6.6142197 1.1302662 -0.44156334 7.300694 4.7172203 2.4209204 -8.952933 -5.8396773 2.5924635 -0.69775504 -8.563266 3.3751712 -1.9405248 12.525157 7.5624375 -7.364501 -6.677108 -1.1282244 7.8470483 6.3049626 -2.1926324 -2.6812296 -2.5797067 6.284581 5.3078184 -3.242145 5.15078 1.9060178 -1.3708507 -13.3375635 -5.1643434 6.193376 -1.5530127 -11.31802 4.6876264 1.275414 2.3497128 5.7220454 3.2277029 1.5665165 0.036793947 -4.0052032 -1.1753594 11.301937 -3.405748 0.6742485 2.3557498 2.3344247 -8.593197 3.138429 7.5291977 -0.3349691 -1.0621736 2.4142146 -6.1289773 5.8637066 2.874615 -2.3461823 7.338517 -0.79861206 -8.460078 5.643569 1.1265614 1.2941854 1.8108721 1.2192214 -0.7099278 4.7412486 -5.140467 -6.545745 0.41467243 -7.9586887 -1.6470677 3.2616954 -2.0371108 2.8883386 -1.1298505 5.9564166 7.5779595 6.167912 -4.43865 -0.3568432 0.68563426 -2.421128 0.018623963 -4.22484 -9.5798235 0.28008544 -4.7857685 -8.548892 -0.5004502 -1.1173875 -2.838914 1.823662 0.74971247 -4.775168 -0.909294 3.69972 8.387758 1.7111843 3.1741476 -1.7648576 -0.21801612 5.1513433 -5.854169 0.96829706 -6.1686625 -2.9640515 -8.756919 -6.322675 2.0256479 -9.943215 1.9128667 2.1085408 2.341835 2.7621915 2.3306475 2.1946268 -5.609684 -0.29519963 15.12079 8.538547 -2.904834 3.4614058 10.460547 0.20718977 -2.1443462 -18.46931 -2.891412 -7.49343 7.9469814 5.6884966 -8.306353 -3.1805127 0.2232322 13.144318 4.7760854 4.607769 1.0358574 12.797775 0.5047634 -0.95211715 -10.463509 5.8581715 -3.3856008 4.9903097 7.610422

FMN-L-threonine is a L-threonine derivative that is L-threonine attached via its side-chain to FMN via a phosphate linkage. It is a flavin mononucleotide, a L-threonine derivative and a non-proteinogenic L-alpha-amino acid. It derives from a FMN.

0.83676076 16.702423 -4.651226 -6.1355166 -4.1073976 -10.747679 -7.938115 7.4706984 0.88032407 1.7074409 12.079057 -17.081146 -0.12821063 18.176619 0.5804253 -3.4722912 1.5851954 -0.059390634 -24.848337 9.507362 -11.158264 -9.948081 -4.9199467 -8.434717 -8.204861 2.3491004 0.04392962 10.7207 -4.8473887 -12.210707 2.2289646 -2.5063496 2.1333945 12.856861 9.290893 9.89281 -0.4823799 6.3815575 -4.4071546 0.69325984 -2.4963155 3.2035613 -3.3711169 -9.725402 -8.679163 1.6630365 7.7797637 0.59135455 0.34524956 6.6326084 12.097385 -0.3757127 2.3606594 8.081723 4.3055754 -2.9592347 2.176004 -3.6399887 -7.0324044 -4.942361 -3.1901557 -6.8911004 6.845399 9.706545 -6.938473 -0.405427 4.7255516 6.156665 -1.0835645 2.869764 4.0768003 6.3220725 -10.314717 -2.2613075 -5.752958 1.071051 -9.10215 9.161145 8.958833 12.057946 -4.0995407 -8.091552 4.386769 5.58892 -1.845264 -4.185338 5.7154517 5.925803 13.752811 -7.2088985 -6.6320767 -7.212988 1.5253985 1.1680632 -0.6431235 10.448429 3.640096 0.7781553 -3.4370944 3.9245064 2.5838058 -4.492009 -11.125203 -5.011567 3.9675097 -5.947912 -0.94565344 1.994439 -1.4785454 5.8661456 -5.6384296 -8.521824 -8.979998 -3.9601233 11.830148 -3.6651945 1.4288099 3.1698833 5.904668 9.714278 7.1363235 1.036369 -17.786097 -2.3589938 7.407767 -8.901569 17.216978 11.790563 -2.8232083 5.8788366 10.437562 3.3860645 -15.457673 4.8282733 18.707733 -0.4151932 2.4253635 0.68407077 16.424486 9.534587 -3.8777697 -5.466647 -4.795704 8.681085 17.01977 -12.094533 -4.3577995 11.348904 -9.109411 0.6683596 8.503609 0.705984 -24.33329 2.8685336 -0.5060857 0.9682296 12.288248 9.26885 5.974165 -10.644098 -4.704241 -0.4711528 -13.615995 -6.8577785 6.785033 -9.1571045 17.739391 5.6875954 -2.6589687 1.1254644 0.019483447 3.8258965 9.806506 -5.5118594 -1.453841 -3.2242742 15.798017 8.740959 -2.0186286 -3.8043602 1.9340029 -3.2099514 -7.11222 0.95129114 8.865089 -1.0409079 -2.0894406 5.167381 4.40536 1.3239788 10.790586 7.080111 0.24747102 -7.0541177 -2.807615 1.1865922 -0.3075713 -2.6533136 -3.0251148 -4.3705435 -0.9065447 -3.759169 4.21118 5.718944 4.039908 4.5346556 -0.30682462 -4.7289658 10.639058 3.9017417 5.7064266 5.478039 2.5471382 10.040201 2.9587705 6.1084604 -1.9745709 9.35407 4.648518 -3.2845037 -2.152936 -13.140805 -7.429782 1.3217285 -15.806104 -3.3166919 2.2944512 -5.036048 -2.5339947 -1.6191291 1.539109 12.714265 -2.575689 -3.8957899 0.7303822 -3.9620302 4.8644085 1.3998741 0.6026417 -2.8451915 2.4560184 -8.276327 -3.7463667 -3.7209277 7.386962 -1.9890298 1.1210974 0.15477464 -2.7291017 3.0966673 8.251055 5.522014 6.020544 5.1858325 -4.609456 0.6057512 3.4248564 -7.666135 -0.513459 -2.6516976 2.671345 -5.532941 -6.944071 5.450658 -3.4660673 3.266758 2.4021657 -1.332032 3.1478298 -1.4828358 3.9659002 0.16538179 -1.8436768 1.8062303 17.187485 2.8191938 4.4265738 -3.9693847 0.7263695 -1.340306 -3.225419 -6.7998314 -3.519647 7.4867344 11.778765 -4.3526316 -1.0512038 1.2028667 7.7036676 -1.2734121 3.8079264 -3.2715466 13.6850195 -14.474571 -1.3004413 -10.613329 -5.2325153 4.019031 1.8237247 4.8423944

6,6'-bieckol is a phlorotanin that is 1,1'-bioxanthrene substituted by 3,5-dihydroxyphenoxy groups at position 6 and 6' and hydroxy groups at positions 2, 2', 4, 4', 7, 7', 9 and 9' respectively. It is isolated from an edible marine brown alga Ecklonia cava and exhibits antioxidant activity. It has a role as a metabolite, a radical scavenger and an anti-HIV-1 agent. It is a phlorotannin, an aromatic ether and an oxacycle. It derives from a phloroglucinol.

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12-oxo-trans-10-dodecenoic acid is a monounsaturated fatty acid comprising dodecanoic acid having a trans-double bond at the 10-position and a 12-oxo group. It has a role as a plant hormone. It is a medium-chain fatty acid, a straight-chain fatty acid, a monounsaturated fatty acid and an oxo fatty acid. It derives from a trans-10-dodecenoic acid.

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Halistanol sulfate G is an organic sodium salt that is the trisodium salt of halistanol sulfonic acid G. Isolated from the marine sponge Pseudaxinyssa digitata, it exhibits anti-HIV activity. It has a role as a metabolite, an anti-HIV-1 agent and an anti-HIV-2 agent. It contains a halistanol sulfate G(3-).

6.0133014 4.1893296 -2.384325 -4.3357596 -7.3680263 -17.404606 -5.3378687 2.20006 3.5039399 11.894838 14.696724 -13.439657 -4.338527 15.293454 6.6485996 -6.2193975 3.7760468 -5.0250134 -21.328192 12.9971485 -18.752884 -13.85343 -10.287331 -6.128378 -14.230396 0.460668 1.631413 20.827923 -7.5958023 -6.0059757 -1.7127739 -1.427353 -5.49391 13.751698 16.639751 3.2528763 -5.5409575 8.278592 -9.470752 -1.7410052 -6.207426 1.3605881 9.950105 3.3228369 -7.189087 -2.9128656 9.9108305 -4.743622 -6.5805902 13.157548 11.06089 -4.03651 12.04405 4.2499094 3.6070173 8.453622 -4.09651 7.95611 -7.405873 -3.4554071 8.854267 -10.112608 -2.9294398 13.409498 -10.796727 -0.51954275 7.655315 7.7199984 5.682301 -7.271862 -4.2273026 1.9185994 -9.80487 -1.4016258 -0.6123882 -9.102055 -14.066229 16.056522 10.208923 12.869979 -4.032576 -5.382078 -3.5666502 9.773462 1.7752088 -11.141851 0.8052798 1.0240618 18.673113 -3.1669986 4.068794 -2.581644 -9.277144 3.4860387 -4.1205544 8.82756 11.324552 -1.721982 -5.0818315 -0.54536706 -2.7091672 -6.088781 -14.223574 2.170874 6.1183333 3.896504 -12.488237 -12.8343315 -4.0793304 10.883833 -22.950119 1.3060323 5.8303246 -1.9114943 9.965813 -2.7205043 0.83092827 2.1601582 5.616259 16.79772 13.063456 1.8437747 -11.369775 -9.529839 10.231631 -17.593868 18.912355 6.228593 -6.1009235 8.806736 9.322975 -2.7628489 -10.847318 6.2637134 8.269363 0.6494851 15.222939 0.31427068 11.868173 8.732005 -13.493029 0.9673655 -0.7004993 3.0658393 13.522084 -5.7184415 -9.563017 11.360325 -3.6898043 -1.4922907 0.22782663 -6.1597977 -5.7689295 -4.073313 7.361876 -0.30673903 9.370432 4.1124725 8.57345 -1.1759562 -11.223783 2.5195076 -11.706363 0.11137496 -10.20814 -6.3563437 15.468613 3.1341045 -13.476747 -3.0245247 7.16172 9.835631 3.2983196 2.6326077 -4.1629972 -2.380514 10.387229 19.65888 -3.8745925 -4.7334995 -1.7524903 16.43544 -9.262354 2.2677193 5.995478 4.3476605 -0.37695712 1.3297055 8.931683 7.1542654 9.950648 15.421492 7.4340568 -3.173505 1.1546286 -1.9432752 11.384097 2.5997097 0.9868815 3.5952942 -0.059914958 -6.079614 15.234291 16.307667 8.076644 8.089568 3.8617244 1.6316423 6.224997 13.594604 -4.244659 -4.342091 -12.650712 -4.084495 1.240004 3.890594 1.6966144 -5.9756947 -4.0017395 -1.1102389 -0.8260539 -10.018296 -9.125698 5.004342 -2.8634124 -13.185534 -4.890282 6.3412 2.0517755 9.714957 3.004214 8.828198 3.9653504 2.7163644 5.850112 1.4667289 10.768423 0.1750378 -5.9352193 -10.173773 -4.0183907 -3.9785807 -2.6245592 2.2042284 -3.4296892 2.5907652 4.6150794 -0.16420257 -6.66416 -7.184627 3.3002143 5.1247187 0.85339147 4.271761 -4.863164 7.7317057 4.4451227 -9.382128 2.5458944 5.1435504 -3.8596287 0.006180674 -0.57631433 3.8259258 -3.181783 -6.5417356 0.6909267 3.0683193 7.3355165 3.4329958 0.76583374 -6.589848 -2.323656 13.721699 20.351345 -1.8359561 5.648694 -4.3219075 4.292042 -9.544859 -11.486752 -7.1898923 -4.924216 7.29191 13.970788 -14.450957 -7.1821337 -4.987026 15.812422 5.3260474 14.368473 -5.789628 21.937462 -6.5627494 -5.327457 -17.281782 -4.3413405 -2.3672698 10.074152 5.1675453

Asnipyrone A is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4,a methyl group at position 3 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger. It has a role as an Aspergillus metabolite.

0.490499 5.1257534 -1.2723564 -4.3912845 -3.3554163 -5.652593 -8.450886 1.4538043 -4.6782293 4.5126014 12.426206 -7.6051593 5.0913906 10.45238 6.257759 -5.3295393 5.539831 -0.81294954 -11.314701 4.1683083 -1.8876157 -3.141979 -0.0907909 -7.199634 -3.7640564 -1.7458248 1.9878222 12.936518 -3.1279309 -6.4290466 -0.7634162 -0.99325037 2.7036285 3.7089984 5.401127 6.1316853 2.9994173 2.1287029 2.5109296 -0.37936237 1.032902 2.6274254 0.025363743 -7.5255437 0.7168299 -1.3035544 5.9717054 -5.2500515 0.8206011 0.8816091 9.027503 -1.1403236 1.5651335 5.33424 -1.4667737 -0.16136155 -4.0651298 -3.621607 -2.3761263 -2.2826655 0.32647657 -0.46411803 -1.8330091 5.2025223 -1.4908276 2.5513456 0.9134795 1.5324373 2.0125394 -1.9815322 3.9835277 1.2262592 -6.413799 0.16041963 -3.6938941 -3.2627184 -8.753882 9.804044 7.5125084 7.5783615 -0.8094464 -3.6097603 0.7955509 3.737553 -0.22644933 -2.4873018 -3.5100574 -5.402007 9.056762 -3.2888646 -2.5255728 -4.912449 4.1601477 1.2836268 -0.21121751 0.2617513 2.0700908 -0.27238512 -4.4560905 -0.17926766 0.89481395 -6.543002 -5.140175 -2.7586076 0.6004339 4.0846763 0.9351412 -6.1788363 4.629703 0.42189866 -2.9503663 -1.2429576 -8.524163 -5.258632 4.1047416 -3.7303252 0.01806768 3.9751136 2.4303699 7.374772 4.83056 -1.2752337 1.5532231 -1.8458785 8.32708 -11.466232 6.6028433 4.997411 -2.6629312 3.2180169 3.3283153 -0.4946022 -9.469134 2.260398 6.938299 2.2246299 -2.5214932 -4.615937 5.504247 8.942879 -1.8278998 0.001184836 -2.0449195 5.2436767 9.645462 -12.400617 -2.8932505 2.9278023 -5.0959415 -1.6310077 3.5647273 -4.04651 -13.192902 4.7297378 1.1656613 -1.098057 0.31526047 1.9927044 5.1514153 -8.870562 -5.2351174 2.6495423 -0.7369641 -4.4357367 8.829868 -0.25785416 7.096277 9.314389 -5.0212693 -2.822661 0.33172512 5.951481 4.1483245 1.7192634 0.018413186 -2.570012 6.9810524 2.0331023 -4.981436 -0.43889463 5.539288 -1.3724612 -8.864778 -2.9493372 1.7227426 0.043887347 -9.9615965 2.8151662 -1.3810294 -0.46764237 5.543263 0.9711509 2.6965501 -2.2497098 -0.05071835 0.59533995 6.930218 -3.9181595 1.7643708 1.1998851 1.8556696 -3.7869153 1.0238733 4.140741 -1.2962894 -1.0863008 1.6794693 -4.790515 7.273808 0.60332406 -2.6532612 7.071345 4.5649977 -0.91900194 5.3414702 -0.7029846 0.05049207 2.1144922 0.28187662 -1.7592487 2.4977956 -3.503682 -7.9785957 -1.5726984 -6.503247 2.9447432 6.8645787 -1.478418 1.273034 -2.3503842 3.196071 10.813284 2.3856974 -4.176125 -1.8229458 -2.5175292 -5.113318 -2.020949 -2.4942663 -4.230429 -0.6452991 -3.1927752 -2.5851965 -1.4810798 -0.7663148 1.2299438 1.7796919 0.3590948 -6.0294943 3.3494978 0.93437785 4.901729 4.763959 -0.9417095 -3.0645592 -2.0208488 4.8474603 -2.6276615 -0.58866936 -7.5771627 -0.85639954 -5.950856 -7.1789255 2.8469388 -7.029513 2.8694296 0.36343533 2.3418906 1.5397004 3.1837351 0.78447723 -4.955969 3.1979792 7.5296345 4.547857 -2.114186 3.603058 8.689223 2.6109116 -0.92101806 -12.188446 -0.351803 -6.8322673 6.8185363 4.058052 -1.3254678 3.455081 0.5094419 5.2341576 3.061008 2.781334 3.1365633 4.7136083 -1.8434298 1.9858476 -4.4186344 0.6532709 1.4969293 0.85795414 4.5804615

(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA is a 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA in which the carbon at position 25 of the steroidal side chain has R configuration. It is a conjugate acid of a (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-).

12.073797 25.478859 2.7673151 -9.56782 2.2829142 -33.494987 -6.1782393 15.259105 9.381268 21.106264 18.793777 -21.776302 -4.320587 18.712917 7.299812 -4.7938595 17.241722 -5.488073 -43.642887 21.176012 -27.399755 -27.420834 -27.292871 -17.700386 -26.389055 9.9756775 7.5275626 32.22882 -7.1068892 -19.998482 1.6471952 2.961244 1.4047018 23.473978 32.20694 6.464883 0.7586958 22.17584 -6.4277873 2.6456137 -19.302122 2.038162 4.044515 -7.8706264 -21.886503 -2.7900229 9.876151 1.2810553 -3.1486366 18.286879 24.755764 -6.0226426 17.865679 7.6772246 22.873825 0.27782324 2.4675138 7.017775 -9.649885 -13.986924 10.740073 -19.819183 10.112994 28.492897 -10.581723 -4.125498 9.171762 8.675502 6.409718 -1.9765801 -5.5731277 12.474326 -29.163027 10.282508 3.0040197 -3.2002692 -23.666595 17.539282 8.595229 10.690978 -12.397639 -10.146963 -2.9084666 17.597898 4.050069 -11.756902 19.535206 2.294924 28.510511 -14.578477 0.34937376 -4.0468864 3.5637496 5.5132813 -9.52946 5.1783566 14.2588005 -0.5557574 1.2139785 -0.896692 12.2387 2.0999486 -21.137285 -1.3237374 8.186214 1.8045597 -8.592784 -5.2817144 -0.104255915 30.384012 -27.453367 -2.9462 -3.8954897 -2.833374 21.98788 -11.56877 -3.7315114 3.7540152 20.541096 20.948492 20.834099 2.384035 -31.354435 -2.0352604 17.164898 -32.408524 39.69312 19.865505 -11.891229 26.736788 16.890583 4.612008 -28.184921 23.232557 35.934174 1.2572421 13.760121 3.9036927 35.278038 23.700848 -8.961669 -3.9572058 6.1073475 19.920666 29.854956 -25.274118 -14.704369 32.12399 -29.606691 4.789916 14.43889 -1.3409387 -31.165066 6.20893 -2.6897373 2.5506852 28.375257 25.610266 30.763565 -15.322614 -22.910002 1.4340639 -29.127705 -13.898194 -5.1250033 -13.4717245 42.158722 14.955589 -23.284107 -6.6952715 5.03534 16.792067 13.712568 -3.4984272 -2.486641 -10.395673 26.427094 21.626724 -5.580136 -2.9279168 -1.8050551 3.1927598 -13.457922 -0.1617361 19.667095 2.252364 -1.1845567 -7.7210035 6.9120865 2.911778 23.044918 18.882832 7.6983314 -12.048954 -1.6357107 11.750976 8.7624235 -2.098564 0.16574343 3.0350802 -2.6713529 -7.5070357 19.01761 23.546507 8.0187025 7.364414 6.1062346 -4.210747 14.654744 20.051624 7.114009 1.9446591 -8.695946 -1.273488 0.17154348 17.437727 -3.9179118 6.135312 11.690877 -3.32775 -0.7981974 -17.106045 -10.754436 10.163216 -16.765692 -19.182474 -13.498833 4.0172873 1.5170997 5.0999484 2.364552 11.626265 -4.25963 -2.978419 1.1768138 5.2358513 23.215958 -2.9297872 -4.7526426 -13.737911 -1.567202 -0.2496707 -5.0476108 -2.2089934 8.338557 -2.1416304 -1.65287 -5.86743 -6.3416767 -8.690051 17.91709 9.03167 0.993595 4.801907 -1.4902496 17.09843 8.413616 -25.73637 -6.089295 3.9720132 -9.826166 -7.2541146 -7.7893696 -0.4845156 3.2577007 -6.6905575 11.461391 0.5987932 14.415324 -7.7623153 -1.3165693 2.8364139 8.804567 0.87832963 33.117397 6.24829 -3.4474828 -16.648254 -1.8586268 -3.768587 -4.3118086 -10.354254 -5.160955 1.5846089 13.591373 -19.938911 -12.793127 -9.461756 18.882406 -2.1072984 15.619723 -7.7681766 29.656446 -7.054441 -3.6524608 -31.490808 -1.1159525 5.259748 9.7305 11.626003

Palladium is chemical element (nickel group element atom) with atomic number 46. It is a nickel group element atom, a platinum group metal atom and a metal allergen.

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All-trans-retinyl linoleate is a fatty acid ester formed between linoleic acid and all-trans-retinol. It derives from an all-trans-retinol and a linoleic acid.

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Ramipril is a dipeptide that is the prodrug for ramiprilat, the active metabolite obtained by hydrolysis of the ethyl ester group. An angiotensin-converting enzyme (ACE) inhibitor, used to treat high blood pressure and congestive heart failure. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, a prodrug, a cardioprotective agent, a matrix metalloproteinase inhibitor and a bradykinin receptor B2 agonist. It is a dicarboxylic acid monoester, an azabicycloalkane, a cyclopentapyrrole, a dipeptide and an ethyl ester.

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Strophanthidin is a 3beta-hydroxy steroid, a 14beta-hydroxy steroid, a 5beta-hydroxy steroid, a 19-oxo steroid, a member of cardenolides and a steroid aldehyde. It derives from a 5beta-cardanolide.

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Coenzyme F390-G is 8-OH guanylated form of the deazaflavin coenzyme F420. It has a role as a coenzyme. It is a member of pyrimidoquinolines and a ribitol phosphate. It derives from a 7,8-didemethyl-8-hydroxy-5-deazariboflavin and a guanosine 5'-monophosphate.

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Juglanin B is a cyclic ketone isolated from the extract of the seed husks of walnuts Juglans regia and has been shown to exhibit cytotoxic activity against human hepatoma cells. It has a role as a metabolite and an antineoplastic agent. It is an organic molecular entity, a member of methoxybenzenes, a member of phenols and a secondary alcohol.

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(S)-lorglumide is an N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-alpha-glutamine that has (S)-configuration (the racemate is lorglumide, a CCK antagonist). It is a conjugate acid of a (S)-lorglumide(1-). It is an enantiomer of a (R)-lorglumide.

-0.26886702 5.4869094 -1.6566746 -7.0222077 2.9664578 -6.819523 -5.581918 5.0628796 -7.7095013 2.2432637 7.6392813 -9.491046 0.9321857 -1.4480056 0.0947075 -3.9561934 2.1533332 0.8910835 -11.974437 3.8868482 -8.354709 -5.902448 0.5586812 -12.433184 -0.5895252 5.081182 0.90634274 8.167725 -2.9763465 -9.294487 -1.3252227 -5.797522 2.4968944 10.48167 2.7458203 8.202066 -1.1428814 10.089278 1.0061839 6.39374 -4.472432 -5.322379 -0.51139826 -5.579018 -8.196177 -0.3590936 3.1224043 -2.5633724 -1.8978006 7.2664557 7.3240304 2.3675666 7.104364 7.958101 5.167009 -1.6180352 0.44802064 -3.8404675 -3.4340873 -2.350822 -1.4173602 -5.17747 4.7162256 10.224579 -0.6687815 4.071139 2.269214 0.6605259 0.7023069 1.8611125 1.0835289 2.8607492 -6.1002727 2.443186 -4.339507 -0.9247013 -1.335367 3.759751 7.7011776 5.696057 -3.8121476 -4.2733765 -1.4408245 4.723062 2.5209308 -2.5015428 1.5163687 4.4546223 10.765802 -1.2448554 1.1630763 2.8335319 0.7125829 3.4144874 -0.3051745 2.3351283 0.0061790645 -0.40665075 -0.7989251 3.7843843 3.174867 0.7535285 -7.603343 -3.2512584 -3.3117652 2.6650453 -0.23393334 -0.50093305 0.12989159 8.424215 -6.067896 -2.2819557 -9.231609 -3.3732674 1.4736547 -2.719538 2.4735045 7.6531 0.91824144 8.754283 7.739039 -1.7991418 -5.981767 -2.4644 5.920327 -10.184548 9.773566 9.402476 1.0632017 5.24722 12.174389 -3.9381866 -10.794426 9.4409075 8.285555 1.3582953 0.19313866 -1.4870657 12.550264 1.4650072 -4.5760784 -0.7368246 0.09073705 3.5778098 9.095257 -14.754771 -3.7360032 7.4338694 -8.967807 2.1409743 4.899349 -3.1774614 -9.452192 3.351747 -1.8405877 -1.5114193 9.035015 3.387509 7.5174713 -4.9200826 -8.983246 0.11056376 -7.3980355 -6.648989 5.771872 -4.8880076 13.101857 8.958166 -8.073879 2.7555833 0.84520125 5.5238004 4.675598 1.6557679 0.7630669 -4.6941504 12.204636 4.862257 -13.06094 -9.883214 6.6654496 0.8096154 -7.545702 2.367722 8.512599 3.9703956 -7.3427215 4.856266 1.6811385 5.588971 8.87589 7.743165 -1.657933 -1.4697433 -3.7975364 -1.7931504 4.750366 2.8927722 1.5391264 -0.66526026 -2.9808745 -8.15051 3.0893376 4.8275723 -0.17681721 -3.5706205 2.1550589 2.1639924 3.1985097 3.032903 -5.4371233 5.751459 7.625942 -5.3308287 6.658423 0.8145393 -8.960205 -1.910727 3.335992 -1.3934435 0.52817285 -0.6079635 -8.660132 3.4243016 -13.131773 1.3187402 0.78413695 -2.5435913 -3.0873756 1.2068298 3.7194788 5.193295 -4.717678 -3.9446023 1.106664 4.7815037 5.86141 -0.0013185441 -3.4583917 4.2052345 0.8444444 -2.8199453 0.5065619 1.2248212 -0.6764847 -2.9359896 6.246946 0.2611639 -8.412656 3.8148103 7.5784025 2.6939826 1.6463401 1.5860558 -4.2898693 -3.896314 8.830235 -3.5877624 -0.75099516 -6.875637 3.810882 -4.2910495 -2.6757247 -0.2231399 0.118297175 1.4958215 1.0861583 -2.0260952 7.4301243 0.22993247 -1.3147182 -4.534001 5.3229165 7.5464125 9.326113 -1.2800261 -3.184328 2.4100866 1.0225857 -2.2532792 -11.14539 -3.573295 -2.4148476 2.9453132 6.5981183 3.1608098 5.4338994 -2.5964704 4.8728614 -0.088489026 8.860433 3.1736941 6.444428 -5.3115053 4.119237 -8.102936 5.5623083 3.362328 4.7884946 5.150553

4-chloro-3,5-dimethylphenol is a member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against Staphylococci and Gram-negative bacteria, and often inactive against Pseudomonas species. It is ineffective against bacterial spores. It has a role as an antiseptic drug, a disinfectant and a molluscicide. It is a member of phenols and a member of monochlorobenzenes. It derives from a 3,5-xylenol.

0.8035712 2.1120548 -2.285136 -2.4943423 -0.12622851 -1.4341673 -3.2779617 1.2079482 0.31079555 -0.4942533 4.373775 -4.3848567 0.6343199 6.6343155 2.1898775 -0.25860175 3.4992943 -0.97659004 -6.499491 2.2811427 -1.2718146 -3.1253772 1.0266106 -1.7861642 0.9680208 0.18415673 -0.5419421 4.0023146 -0.43048894 -2.3202505 0.030755106 -0.53812647 2.887216 3.8511872 0.028892867 3.6434517 0.52677685 1.334189 -0.05693935 -1.1313405 -0.61954486 0.4962606 1.5145782 -5.1742597 -0.015876725 -0.22595572 3.9148371 -2.483845 1.8462764 3.2697973 1.9965643 -1.0509896 1.4581221 2.4991436 -0.14904171 1.4333552 -2.7389832 -2.7024963 -1.878375 -0.11767277 -1.1621877 -0.022890314 -0.0010544658 0.23786059 -1.4328876 -0.48058942 0.10863471 2.8300066 -1.1467172 1.5742563 2.1211917 1.6741252 -0.71628994 -1.9170161 -1.0096965 -1.3886044 -1.9002466 2.866276 5.611337 3.6490204 1.3023791 -1.49966 0.55510795 0.41646183 -0.59792405 -0.58301985 -0.030612545 -0.59903824 4.0154176 -2.4031162 -1.1254871 -1.372916 -0.04482767 0.4965995 0.14809492 2.1877863 0.07606394 2.5632944 -2.8271556 0.82145274 0.08756645 -4.73602 -3.8554099 -0.2170191 2.178179 0.28809762 -0.30369365 -2.6976333 1.3620819 0.042998403 -1.875669 -0.9719908 -0.71742016 -1.8806562 2.5884712 -2.0191693 2.2286913 0.15285277 -0.26167762 2.4321933 1.7219794 -0.70705 -2.1471856 -2.1913848 2.9641435 -3.482389 2.5404344 0.6901617 -0.6866787 1.1280179 1.5909617 0.104793556 -4.780171 0.1863334 4.2617135 2.1919765 0.8423914 -0.087952554 3.0974715 4.498802 -1.096874 -1.4265889 -2.8074486 0.718169 4.5404015 -4.9923625 -1.6216774 1.7657797 -3.1787333 -0.13049498 2.5224907 -1.1434201 -6.9911017 0.76477194 -0.55967 0.49167955 2.9076138 0.6696956 -1.8045776 -3.7311187 -0.52360713 -0.5821235 -2.974774 -1.3210195 2.6862478 -2.0669632 4.24667 3.1363912 -1.1436405 -1.1230466 -1.001895 0.602958 3.9221473 -1.6582452 0.94401336 -2.1668692 2.5119529 1.0486593 -0.9432423 1.1905919 2.50644 0.84255856 -2.7807124 -1.3722988 1.7889065 -0.07091966 -3.9723659 1.9312012 -0.9237248 1.2129298 2.7932134 0.45920256 -0.57268107 -0.75966674 -3.2393012 -1.4743018 -0.21493733 -3.1917439 -0.730138 -1.1147275 1.2962813 -3.5913484 1.241296 0.68958294 -0.77752256 0.007539317 -1.1478381 -1.9317379 2.6170225 0.9681128 -1.8773639 4.018994 0.77873635 1.0862767 1.5712125 -0.57946044 -0.6395623 2.1450615 -0.51139814 -1.4331257 1.0991023 -3.5236979 -3.4345427 -0.54514706 -2.5088568 -0.9878986 3.4828303 -3.3804152 0.4960224 -3.4123733 3.0661075 5.341044 1.1075424 -1.4978178 -1.859861 -0.031823337 -0.93193454 0.9506422 0.2634892 0.45436397 0.6596246 -3.198468 -1.3461076 1.0342705 -1.144546 -1.5194559 2.0897722 0.8598249 -2.3517134 0.6065291 -0.70065916 3.3779545 1.7373247 -0.9454532 -1.6691043 -0.897385 1.471481 -0.53304255 1.1066408 -3.5083168 0.18730055 -0.5421231 -2.2986186 2.5953388 -4.598564 -0.11645676 -0.24915709 -0.32662874 -1.2070042 2.0305183 1.4836274 -1.6892879 0.39572063 4.047927 3.4205446 -3.7861888 2.04818 3.67971 0.016415238 -0.53289205 -4.1173244 -3.0911229 -2.276632 3.0769587 1.5079465 -1.35502 1.2923434 0.5253816 2.4668934 -0.07567776 -0.04067488 1.2648432 2.2446651 -3.1043584 0.6213713 -2.5251913 0.8803947 1.0690417 -1.1664246 0.9561798

3-chloro-D-alanine is a 3-chloroalanine that has S configutation at the chiral centre. It has a role as an EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor. It is a D-alanine derivative and a 3-chloroalanine. It is an enantiomer of a 3-chloro-L-alanine. It is a tautomer of a 3-chloro-D-alanine zwitterion.

-0.13752076 1.995152 -1.1733805 -1.2989688 -0.10175788 -2.3730578 -1.0029829 0.86119646 -1.5004966 -0.13786325 1.9377425 -2.657673 -0.33121368 -0.98273104 -1.2756736 -0.27759656 -0.87397516 -0.2087445 -4.3141766 2.1243396 -2.4383514 -2.743455 -1.0714582 -1.7333014 -1.0429873 1.205634 -0.58049285 0.5902034 -0.2972645 -2.2685273 -0.3264319 -1.2814338 1.5736892 2.3137949 1.0437336 1.8316368 -0.63202703 1.7814381 0.8479482 2.2352836 -1.7148112 -0.503003 -0.5054868 -0.7026266 -2.0192392 0.6998981 -0.1980221 -0.27053142 -1.5751756 1.1080914 1.2484397 0.70695746 0.22083257 0.9310244 1.5908247 1.2702712 -0.09665187 0.12562373 -0.7039873 -1.0772321 -0.63666165 -1.6160024 2.5713298 2.9766595 -1.7177192 1.8046037 1.5822837 1.2094809 -0.41432077 1.1478149 0.94530106 2.3296952 -1.5449799 -0.5881392 -1.25416 -0.24781993 0.0019820929 0.6424719 0.6589914 2.419556 -1.721051 -1.0172374 0.10225927 1.2858641 1.0626535 -2.1512976 -0.13611457 2.1048088 2.1107311 0.5555506 -0.16278735 -0.05143407 -0.534955 1.4431103 -1.168281 1.6065245 -0.3421517 -0.3340841 -1.3139217 0.3606404 2.1048176 0.40247694 -1.4285036 -1.5733806 -0.56447476 -0.96610254 -0.46864614 0.6322464 -0.83455706 0.7342327 -0.42225108 -2.05539 -1.5157125 -0.2095536 -0.003937438 -0.26308224 1.0266496 1.5304043 0.40561163 1.2901039 0.116291 -0.6706424 -2.7041054 -0.6686903 0.18010983 -0.9683065 2.426389 2.2748008 -0.37395748 -0.4852695 2.6656697 0.003187731 -1.807871 2.3017519 2.3453891 0.446813 -0.16766219 0.17258617 3.7870126 -0.98993146 0.27520242 0.3791074 0.26139635 0.84861636 2.8392913 -3.5578005 -1.6259724 2.446264 -1.1722896 0.42762753 0.63769543 -0.30251873 -1.5279427 0.23194107 0.42322633 1.3003925 3.2807162 1.0745224 0.38590807 -0.13884535 -1.5573598 0.05099851 -0.9757295 -1.7548038 -0.10340684 -2.4247591 4.4201813 1.4028935 -1.1596215 0.15457323 -0.7406749 0.94923425 1.3655013 -0.5989252 0.08354142 -1.0260341 4.3314266 0.84998894 -2.3262024 -3.0337794 1.6135157 -0.5787691 -2.9351144 -0.2934161 2.3398178 1.9816778 -1.5696975 -0.11035067 1.3631321 0.75862426 2.6079419 2.3213308 1.1119096 -1.75155 -1.0628401 0.6129575 1.0705702 0.32430798 0.21045098 -1.2951543 -2.1283019 -1.0122191 0.6007427 0.45899233 0.57825506 -0.4985407 1.0258372 0.32407272 1.2459234 0.9180723 -0.052921385 1.0198385 0.7059543 -0.29390365 1.8036013 0.14197652 -2.0328298 -0.7067457 1.5232681 0.4529578 -0.3859815 0.47441074 -1.5044736 1.5279924 -3.1611428 -0.007247299 -1.6984253 -0.71377283 -1.4979929 1.2191187 0.58333486 2.0255036 -1.1701033 -0.68926454 0.77046096 0.8388072 1.4954337 -0.094406284 -0.9739844 -0.035492435 0.19839275 0.11959307 0.027882919 1.0281385 -0.24934298 -2.0836518 -0.21852553 -0.24868345 -1.8200148 0.016976438 1.7690154 1.0569375 -0.64850044 0.85852087 -1.2364398 -0.37621784 1.9082651 -1.3450207 0.82259405 0.3127942 0.3652345 -1.2262746 0.55293715 -0.2017588 0.946405 -0.44005337 1.9899814 -0.08074648 1.7315698 -1.020747 -1.1639322 -0.018884975 1.1727655 1.122052 2.8396888 -0.58391976 -0.6240482 -0.2755205 -1.0911438 -0.84389186 -2.2036557 -1.4574937 0.26329875 0.66780466 2.056394 -0.51885 0.7063785 0.29820067 0.8088951 -0.3982498 3.107429 -0.60032797 1.1678592 -2.160469 0.10601625 -1.3109145 0.542302 1.298657 1.5859864 0.95734894

Alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-D-GlcpNAc is an amino trisaccharide consisting of alpha-L-fucose, beta-D-galactose and N-acetyl-D-glucosamine residues joined by sequential (1->2)- and (1->4)-linkages. It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.

-4.0822854 8.163263 4.312843 -0.76369923 0.4848536 -24.10343 3.0062501 -1.3591614 14.638874 5.3996806 -0.9231514 -6.0234466 -12.200285 8.756712 6.323223 -2.5095985 7.022269 -10.966163 -29.286901 13.41009 -7.222478 -19.114212 -13.304016 -5.5901084 -10.70518 2.926044 2.762328 7.391389 2.3439796 -7.5101843 3.197703 -2.203375 3.4969225 10.744496 20.903563 0.062006652 -6.465282 12.074795 2.6240878 0.2391944 -13.397595 4.866287 -2.4529862 1.0451944 -3.608853 -0.33702412 -1.2307554 8.393178 -0.94498104 25.743155 8.52845 -3.805977 12.496154 1.0733017 18.880365 0.6982916 -5.1439695 12.360324 -4.4577813 -2.2638142 5.4925017 -8.748819 1.5324728 6.642249 -7.719478 0.08006239 5.5310373 5.6654286 -1.273744 -9.572797 0.93728596 5.4588165 -13.257963 5.2411056 0.16478497 -8.437256 -20.86592 13.381433 -0.5545157 3.0898488 -12.092163 -8.62625 -6.656741 3.8599687 6.728589 -3.0060117 10.878834 2.4383729 9.429406 -4.029634 -1.9613476 -0.32490462 -0.6925769 4.315266 -2.3842947 -5.3922048 10.256592 3.9656644 0.7298683 -4.8609824 11.875863 -1.7351129 -16.514782 -0.48805982 12.00312 5.12654 -1.9021236 1.8946204 1.7145023 5.847205 -9.546376 7.606929 4.8524895 -2.53946 17.531158 -12.105053 -4.5686545 6.762232 12.364365 9.582102 10.984678 4.100371 -13.258137 -4.715638 7.859736 -23.407618 19.976976 9.593918 -15.741707 9.862035 -0.27860367 5.409386 -15.581991 20.227379 25.693577 5.2896385 6.0373797 -4.4490833 19.030933 16.914507 -9.890273 -0.34179825 4.348267 5.0210433 25.962132 -8.456984 -9.700876 19.354746 -15.776574 2.3042502 10.404735 4.997123 -11.871936 5.2699647 0.0022070557 6.0942802 22.427917 11.383113 23.645147 -6.0285125 -22.11238 1.8272749 -10.332723 -0.66018665 6.8128834 -3.0108461 33.591618 9.679065 -13.573997 -0.47701573 10.014899 14.312222 9.46001 -1.96526 -4.0343785 0.6877921 15.077981 15.443545 -3.790257 -2.223236 -13.323675 2.4513218 -12.180429 0.18988462 0.81340647 -5.0661674 3.2420392 -9.473844 4.2081285 -1.1483356 8.138585 6.5573087 3.3301 8.088463 1.5212328 8.410178 2.3038888 1.309319 2.775928 2.706307 1.3729846 -1.6827164 6.6733646 16.413021 6.0949397 -0.82054627 -2.736028 1.0356519 -0.1635238 9.397953 2.6766684 -3.0443761 -9.132296 -4.61398 -6.4605145 10.181457 -2.1823428 0.6434514 5.343805 -7.3780084 -2.6423872 -1.3240213 -0.7370985 11.628704 -4.955344 -11.80941 -11.58841 3.698904 5.5635366 5.5592947 0.24041934 3.015565 3.2119539 2.2214334 -3.4039211 1.4280182 12.574444 -1.1062231 -16.72876 -7.683119 -4.422964 -1.538351 -1.486274 -2.676345 10.28644 3.2179074 2.3554404 -8.365422 -3.1901045 -3.4748106 4.5452437 4.1329746 -8.202233 7.8581076 8.024249 10.222732 0.37195706 -17.40517 -7.574954 5.34372 -9.22129 -7.083267 2.5432773 -1.3672326 2.1023624 -4.2602015 8.57232 6.5475693 12.396719 -2.1797633 1.3537793 -0.119008 1.3913436 1.2485521 18.026772 16.547596 -2.1063726 -7.9272633 8.640378 8.073144 -0.20254546 -3.493919 3.2087126 0.88001144 11.631991 -10.799934 -7.411915 -5.1714287 14.965666 4.538405 5.641974 -7.677575 21.028734 -2.4258215 4.4692984 -18.41702 -2.8933997 -4.8004227 9.729096 4.5285645

Platensic acid methyl ester is a polycyclic cage that is the methyl ester derivative of platensic acid. It is isolated from Streptomyces platensis. It has a role as a metabolite. It is a cyclic ether, a cyclic ketone, a polycyclic cage and a methyl ester. It derives from a platensic acid.

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Secoaggregatalactone A is an enoate ester obtained by the formal condensation (2E)-2-[(1S)-1-hydroxy-2-oxopropyl]tridec-2-enoic acid with methanol. Isolated from Lindera aggregata, it exhibits apoptotic activity against human hepatoma hep G2 cells. It has a role as a metabolite and an antineoplastic agent. It is an enoate ester, a ketone, a secondary alcohol and a secondary alpha-hydroxy ketone.

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1-tetradecanoyl-2-[(15Z)-tetracosenoyl]-sn-glycero-3-phosphocholine is a phosphatidylcholine 38:1 in which the acyl groups specified at positions 1 and 2 are tetradecanoyl and (15Z)-tetracosenoyl respectively. It is a phosphatidylcholine 38:1 and a tetradecanoate ester. It derives from a (15Z)-tetracosenoic acid.

7.152771 11.049617 5.0523367 -13.965967 7.3734407 -11.462091 -5.8787622 12.185064 -10.148238 8.184567 15.612086 -16.21511 4.366237 -2.1782184 -2.3608654 -10.360676 -2.6857054 12.654587 -23.315884 -0.19889647 -10.529807 -9.160105 -0.24163753 -24.434898 -9.182538 15.986194 -0.6556304 21.041395 -13.172818 -14.251988 1.0351787 -11.434787 -3.8976014 11.487203 17.29323 13.310923 -9.446826 31.98603 -3.6415327 13.976218 -6.3018494 -17.375677 -4.0331845 -7.749616 -23.345402 1.5302097 -1.4702848 5.034473 -1.6360583 9.84078 18.315104 5.6605763 14.623922 9.298685 13.144812 -17.194624 2.4965825 -3.6093326 -1.9593954 -8.812868 -2.6562097 -22.937433 3.5199916 26.330755 11.469275 3.2251801 0.24653246 -4.5437984 11.093616 -6.5478053 -0.62618744 -1.5508785 -11.965659 13.691265 -3.3237278 3.47256 -7.926767 13.212618 4.148803 6.20298 -13.376241 -2.98445 0.07953645 13.795112 3.214909 -0.42071548 9.955955 8.599985 27.030994 -12.691366 2.9592419 12.829036 14.892383 -3.9714446 -2.3794866 -0.7739819 8.434732 -1.2574546 13.7296915 15.563209 12.65072 10.341402 -9.308016 -1.2682898 -22.841833 9.524633 4.3337007 -2.691975 9.787662 22.832657 -12.313072 9.12737 -20.675262 -3.5091739 6.104926 5.2395926 -5.2168922 7.608069 13.117979 18.398178 27.329111 5.4920535 -15.136659 -0.41618648 9.746691 -39.243908 20.281097 27.11631 3.1307814 18.14088 24.277428 -15.988141 -10.105648 10.054003 16.461966 -2.7594235 11.150831 6.523062 30.191772 2.0196946 -14.449396 3.1880245 0.24086267 9.579411 26.33564 -32.93877 -7.6078916 26.204323 -19.585354 2.5452716 8.345246 0.6849102 -19.320597 4.7653995 -11.69754 10.215422 11.484399 24.637411 34.3668 -3.0222864 -21.886883 8.314582 -14.492156 -16.401377 18.671192 0.0053553814 12.464895 22.351524 -11.871443 17.054844 13.7529 22.006659 -2.0789087 3.808116 -5.1300488 -2.0511324 33.968964 10.426334 -23.615456 -26.651192 2.9931922 4.6249914 -11.143384 -2.098699 15.601358 9.701533 -7.0365896 3.230994 9.74284 17.59692 7.866434 30.763643 -4.5005846 -2.8870888 -0.9719595 1.7385684 3.2837808 14.95285 9.090773 4.419606 -16.91358 -2.8471584 7.622881 7.2459903 7.1095715 -12.663656 1.9750896 -0.2732746 2.6410882 4.159745 -11.151129 -2.6441634 9.427886 -19.098814 -2.0071106 -0.788394 -12.268435 -1.2949667 22.871672 -6.7179127 -7.8272896 13.733547 -12.75227 9.010838 -38.215935 2.0512912 -12.323779 -0.05999694 -11.058211 13.926292 4.7467556 7.5090165 -11.427147 -12.9055395 4.4841948 1.9616902 26.586954 -1.3639991 -11.822325 0.34255868 -1.8849574 -4.313575 8.040246 -7.7755446 7.9492297 6.675621 4.153075 -3.60008 -6.4571157 16.7395 11.057454 0.7764543 -0.4813093 2.2369375 3.6652157 -5.0383873 12.648256 -16.671177 -14.169186 -10.321869 6.3897295 -12.481676 -1.2542143 -11.692466 17.053999 -0.6712899 1.5523584 -13.641377 16.098549 -7.708924 -12.1213875 -6.2885385 6.9240823 4.4876995 5.145219 26.054201 -8.006013 -12.201645 15.458717 -9.402524 -8.063765 -3.6204379 -9.790957 -4.235393 18.267654 8.913152 6.3810186 -5.751998 12.421582 10.095704 19.537899 7.1938457 13.456805 -3.123799 11.790637 -15.533968 6.6230116 3.4776444 9.068077 12.501324

Cytidine 2'-phosphate is a cytidine phosphate compound having the phosphate group at the 2'-position. It is a pyrimidine ribonucleoside 2'-monophosphate and a cytidine phosphate. It is a conjugate acid of a cytidine 2'-phosphate(2-).

0.49671978 9.0062685 -0.81770885 0.2943486 2.1752186 -13.430964 -2.5039065 4.607021 5.302658 4.5282984 4.222499 -7.3071566 -4.382718 8.762728 1.1256567 -2.055087 3.2569766 -1.6158515 -15.524948 7.5637136 -5.1962957 -6.5763006 -8.365702 -2.594715 -5.569709 0.7196832 -1.5558264 4.87016 -0.6463948 -4.886565 0.5795522 0.93839073 2.1984477 4.6186457 9.189668 0.77688205 0.3732329 4.241436 0.9989187 -3.3575404 -4.7185726 3.8073182 -1.5634153 -1.4376861 -6.282096 -0.46325102 2.124853 1.7527148 -0.5733348 6.061632 6.8945947 -1.2039864 4.189154 2.5835285 5.8985486 -1.2999064 -2.3394916 -1.0320916 -4.7351685 -3.8081431 2.527532 -4.031733 3.499323 4.657695 -3.9465835 0.29309624 1.072341 3.0794075 0.9867195 -0.72826505 1.1201296 2.9922562 -7.491599 3.1038086 -0.74405575 -0.37581837 -8.043073 7.3759837 1.2778867 2.8372111 -2.0977538 -5.880391 -0.44316196 1.7742888 -0.5912712 -0.55851924 7.0053487 3.2222815 5.921907 -4.6333675 -1.5910834 -3.471355 1.5553361 0.4744445 -2.6249716 -1.2820516 5.281398 -0.69692224 0.15627995 -1.0751612 2.8159997 1.3872515 -8.747134 -1.0672029 3.9990597 -0.5287805 2.8864112 0.27209434 2.0426683 5.9255767 -5.894758 -1.4201493 -1.4439915 -1.9500731 9.776234 -3.5923283 -0.5355121 0.3538914 6.738786 5.319579 6.86911 -0.7373966 -12.03044 -0.79256904 5.191623 -7.1774096 11.347287 6.4055643 -3.541772 7.553953 2.604756 3.1836553 -7.8927164 8.244901 14.268329 1.4938028 5.6182246 -0.09402453 8.646628 8.150543 -0.4928813 -1.1732068 2.4715538 4.069845 14.004006 -3.8646815 -4.0985265 11.862595 -8.99829 2.289792 9.366223 -0.09463869 -11.346932 -0.33738625 -2.0670872 4.7368665 11.12525 7.0911884 9.547915 -5.767934 -5.6715755 -1.4320867 -10.161549 -2.7942173 2.7373526 -5.2170787 18.298084 3.7706084 -5.283788 -1.49437 4.458192 2.3411882 7.4583974 -3.6186657 0.7174955 -1.559572 8.41552 2.572405 2.1814759 2.7379346 -2.9219844 -0.06508428 -4.009607 -2.4312189 5.2000337 -1.9664454 1.0891647 -3.8707912 1.6972524 -3.6450095 7.8418436 1.0989668 2.1282923 0.3223339 -2.8787694 5.324271 1.317188 -2.0501957 -2.466282 -0.6786994 -1.279844 -4.9229236 4.472456 6.6114845 4.7112737 2.3188474 0.57671607 -2.921579 4.6457634 5.521764 1.8711156 2.1570144 -1.9577978 3.1330342 -0.9221204 5.159266 -0.057006285 4.3486814 2.8650596 -4.032276 -2.4844296 -9.997757 -2.4027894 3.32689 -4.7077155 -5.96722 -4.0474997 -1.988922 1.8428444 -2.437274 1.4661837 4.5774465 0.32695383 2.3478198 -3.7816648 -0.41901445 6.8523703 -0.7251738 -3.4737241 -3.434863 1.0629756 -3.7643538 -3.5929615 -0.5969836 4.0013385 -1.0063155 0.47689658 -3.7366486 -0.41255152 -1.3863152 4.518506 3.7051754 0.44939995 2.0524182 2.2828004 6.2273364 -0.67175823 -9.65024 -3.7526731 0.029600015 -3.5855377 -2.364558 -1.1277834 2.0819714 1.2468922 -3.4388077 2.8960094 1.3668948 1.576894 -0.072260246 0.4784556 3.4501872 3.2084405 -2.4852293 10.729953 6.080372 2.0520897 -6.111789 0.5405206 2.6114836 2.722395 -5.4607964 -2.0610213 0.5272287 4.205001 -6.855084 -0.7025439 -4.465051 3.6065724 -0.7477492 1.1265968 -4.231489 9.641249 -2.9184115 1.5646552 -7.114998 -2.2003443 0.52754724 2.1269364 3.2505422

L-ascorbic acid 6-phosphate is an aldonolactone phosphate that is the 6-phosphate ester of L-ascorbic acid. It derives from a L-ascorbic acid. It is a conjugate acid of a L-ascorbate 6-phosphate(3-).

-0.08801432 7.5667543 -1.3471391 -0.86649084 -1.2819551 -7.0724792 -0.6209738 3.2176502 2.7281225 1.5668876 3.6102989 -4.0611734 -0.6576942 5.378961 0.9776086 -1.0947962 2.9700878 1.0509789 -10.680912 4.2831974 -3.160207 -6.109231 -4.8259125 -2.1052074 -3.1541507 0.08425962 0.89461815 4.7295213 -1.5806317 -1.8625635 1.0266862 -1.9317989 0.908792 3.4746819 4.84724 2.847995 1.0583465 2.6531928 -1.5724752 -1.4290153 -2.7738867 1.2511332 -1.2201327 -4.5725837 -3.4661343 -1.7251084 2.2777286 -0.05763693 -0.30369222 3.7970817 5.4183326 0.80042017 2.7100282 2.8144374 2.310015 0.33796963 -1.7767797 -0.1573293 -1.4721366 -2.6465745 0.4079961 -4.414795 1.5422932 5.25457 -0.87260425 0.24817613 3.7437742 1.864696 1.1354226 3.0658576 0.69592464 1.2730097 -3.5587673 1.5542667 0.53218496 -0.9902601 -4.605559 6.3705683 2.8123908 4.884071 -1.0419837 -2.3983488 0.7273631 0.83968467 0.23087952 -2.4641619 4.275074 0.6550768 7.285037 -3.2650168 -0.8598567 -1.9417769 0.40398386 -1.0896538 -1.8855982 1.8871118 4.453393 0.2470674 0.46871597 0.20019539 3.8753407 -0.8771949 -6.7637944 -1.8708535 1.6622832 -0.64330816 -0.18199976 1.2177382 1.2562939 0.2507515 -3.4186487 -2.2207758 -1.0058731 -0.48274958 5.607204 -0.8593724 -2.7554443 -1.8732765 3.2619655 3.7657514 2.9952323 1.3264495 -8.629915 -0.80450666 2.909175 -4.7211723 5.889082 4.987157 -2.5383873 4.4009914 3.1904178 1.6323164 -5.374084 2.455257 10.176742 0.43690538 2.9465215 0.34600282 6.2633915 4.63687 -1.3202524 -1.4122854 -1.4219332 3.7829244 7.49936 -5.6411757 -1.5442319 5.3573422 -5.0721855 0.18143687 5.0902696 -0.055364057 -10.343874 1.7159218 -1.3695996 2.2271168 7.7195716 4.846487 2.8553934 -3.7405713 -3.0561645 1.293714 -3.873276 -2.3670964 3.1071053 -1.8422191 10.512519 1.1042001 -3.3557835 -2.5521736 1.0672486 4.7520895 5.092112 -3.1136062 -2.884254 -0.250288 6.708572 3.5809727 0.4283671 1.2865684 -1.7980059 -1.5159658 -5.911761 -1.456289 2.6072788 -0.399751 1.4365867 0.71537006 2.974404 0.4265686 1.4939413 4.612135 1.9730451 -0.16141623 -1.9575019 2.1254833 3.9490914 -0.60007685 -1.7406473 -0.051181763 -2.7802136 -4.054941 3.39848 4.7205753 2.2419174 1.1871586 -0.34280765 -2.1372473 2.9576359 2.7937658 2.429677 0.7106663 -0.6636381 -1.8925606 -0.94220006 1.721703 -0.53806293 2.4241223 4.2299056 -0.9579844 -2.0854502 -3.5615363 -0.62343186 4.0949955 -4.38781 -4.060167 -1.0305064 0.26133186 -0.55724716 -0.4318247 2.2037582 3.2177196 1.2624539 0.34324232 -0.31702012 -2.1446805 2.997319 -0.33980352 -2.4984372 -3.7466345 -1.0787965 -2.5232067 -2.6597953 -1.1829307 5.687853 -1.3681849 -1.6900451 -1.6197007 0.4097045 -0.60058606 3.906512 3.148087 -0.89690113 2.4878418 0.17845097 0.6536586 1.6719918 -6.2600017 -0.58287466 0.96569484 -0.4353328 -3.5391169 0.03695661 -0.21719041 0.09846231 -1.5114172 3.5364199 -0.46776968 1.7769018 -0.9714443 1.953154 0.36828855 -0.43123603 0.18573359 5.629374 5.146126 0.46193546 -2.7185805 1.2566512 0.1334357 -2.208861 -2.5127192 -2.7475069 2.8168812 5.5827265 -4.7377295 -1.7531345 0.052605033 5.512282 0.36861128 1.3011243 -3.138112 6.2118807 -2.542721 0.7364073 -5.41071 0.22051373 -1.4053484 2.7108862 4.4143214

Iron(III) vibrioferrin is an iron coordination entity comprising equimolar amounts of iron(3+) and vibrioferrin(3-). It contains an iron(3+) and a vibrioferrin(3-).

1.0676816 4.9631534 -0.38481158 -3.7419128 -7.035858 -8.406625 1.1085384 3.693533 0.1311405 7.0237546 2.9186907 -5.092195 0.9744275 -1.3138239 -1.0097644 -2.4888167 9.024893 -0.70940274 -9.394907 6.091463 -6.8309665 -7.220061 -4.325366 -9.097406 -5.510906 1.0239558 3.6777315 9.802681 -5.511941 -7.627442 -3.1258764 -3.0084524 1.6942072 9.455858 4.9080434 5.9108653 1.1572461 8.670399 -1.0191402 10.459255 -6.337484 2.0775888 3.753068 -2.748478 -7.451118 0.5969168 3.3024995 -0.18393682 -5.3913136 3.4445796 7.409657 1.2625341 2.6811743 4.597758 4.386855 5.7881656 1.6607219 2.3193257 0.20780708 -3.4777908 3.8300838 -7.496849 2.206236 8.500627 -4.4792686 1.4655638 4.9932117 2.9821422 2.5138152 1.7586875 1.920318 4.653413 -8.188825 1.1107955 -0.17378804 -3.484695 -4.019654 4.3722258 4.8595204 5.5936513 -5.6251507 -6.2287326 -1.6210332 6.500507 5.199845 -6.0208526 -0.9088125 6.4986515 9.665579 -3.1288955 -0.87812203 0.6532826 -0.4938615 6.0458565 -3.94158 3.3495417 2.1737065 -3.1544518 -3.1250334 1.7322056 4.0628915 -1.9139462 -5.4031262 -2.4338398 -1.5236692 -0.8550511 -4.543302 -0.41781038 -1.3160018 10.112609 -4.135022 -0.6539319 -5.796915 -1.9949849 3.9081788 -0.8796913 -0.47976565 2.9032972 1.6890827 6.2218647 1.5378098 0.7192245 -6.3100677 -3.620465 1.6057642 -7.5734887 9.52965 8.183527 -1.9669621 9.089861 6.0917716 -0.70208937 -10.874818 5.489455 10.601301 2.3434386 2.1782866 3.86046 16.520975 3.8746772 -5.065253 -0.6551257 -0.37776482 7.0119495 8.340927 -13.552036 -6.9077473 8.433045 -3.6689675 1.9400587 1.0631721 -3.917293 -7.1832466 3.0983303 -1.3140898 3.4369643 9.32478 6.6487675 9.52866 -2.6232247 -10.201743 0.7359395 -7.390408 -5.2115993 -2.5334754 -6.636851 16.058258 6.9572124 -8.3033085 0.54405385 1.5835911 5.337351 5.4345236 2.408063 0.27024904 -2.9264412 11.785379 11.017991 -7.747472 -3.4455929 4.4782624 -3.5825462 -9.214264 2.519264 5.364738 2.383336 -5.678028 4.722096 1.3509368 3.1279607 10.284987 7.5420165 6.1543694 -2.9098592 -0.58808166 4.034595 9.851468 1.8119179 2.1864023 -0.008169826 -7.5497203 -2.647027 4.540513 9.347401 -2.132518 -1.6194068 5.9462185 0.059524894 4.1147046 6.3888 3.224163 0.9171277 1.6272161 -3.1905534 7.3620105 1.5462606 -7.3489175 -3.139354 6.4288464 3.6155536 2.0495214 2.164546 -7.049129 5.2890015 -11.484122 -3.4226367 -1.8971543 6.8929768 -2.2394612 1.1524991 4.4293084 4.485031 -4.057158 -3.132496 0.78599274 3.8241568 5.7792916 -0.15225795 -4.8691044 -3.9840348 2.131163 -0.0019560754 -4.399539 0.7582429 0.62161493 -5.8514786 1.4202783 0.80682266 -6.3315473 -1.5433481 10.806517 4.7074757 0.008161351 3.0404444 -4.39514 0.5068382 6.506757 -5.1109433 1.4101324 -1.0781817 -0.7568328 -5.518895 -2.8380287 -1.878693 -1.2238969 -2.2347238 4.659101 -0.86830145 5.507652 -4.263002 -1.4900138 1.953493 4.346168 9.259994 8.663918 0.084172964 -5.4649386 -3.0091343 -6.100012 -3.6121066 -9.687809 -0.049477335 -3.6229892 -1.4136505 5.5139265 -5.182702 -1.5028399 -0.7282918 6.3871374 2.0738337 11.554318 -4.9281597 10.625218 -3.9012544 -1.3469912 -11.247606 1.6144224 1.108026 9.845325 5.5478115

Strychnogucine A is a bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity. It has a role as a metabolite and an antiplasmodial drug. It is a bisindole alkaloid and a ring assembly.

7.0277195 16.09079 -6.938801 -1.3698313 -5.96573 -15.205014 -23.881948 -0.7793274 1.1601115 11.14652 8.395477 -11.025079 -1.6156168 23.197021 3.0880935 5.19289 16.341976 3.9369898 -9.845404 12.45425 -6.043172 -1.6118661 -17.142254 -9.829952 -8.678153 -1.0077238 1.0092272 22.861103 -5.573015 -7.8637223 1.1961582 -5.5131483 1.0750055 8.933252 10.100789 -2.8736196 2.9154074 6.0199165 -9.9125595 -3.7877388 -9.7974 6.4822273 19.43877 2.5076315 -2.5236008 -11.315976 9.357104 -8.011205 -3.5160475 -1.3233825 14.585532 -12.396382 7.220511 -1.7096984 -4.9630117 0.6889739 -6.820037 1.6211373 -8.480283 -1.8287978 6.845213 -4.2814145 -12.516605 18.644182 -2.1198695 -4.7244434 -2.89076 5.6895857 -1.6688371 0.36575055 -5.039186 5.369024 -0.62040085 -0.7845278 6.4831567 -8.724912 -9.101773 19.748962 15.475413 14.242253 2.2504056 -6.143445 4.468728 13.582379 -3.466727 -11.103751 9.152719 -7.670469 24.159506 -13.088521 0.4355657 -4.690282 -2.0743937 2.4190097 -11.64855 8.3116455 -4.9481416 -1.0308568 -13.6575775 -3.577558 -1.0134374 -12.35397 -17.204279 1.9777256 13.62346 6.9355855 -1.7426243 -14.600864 -7.769852 12.857682 -2.016056 -2.058836 1.2506098 -5.464542 21.316076 -11.740223 -1.0474252 2.9994879 11.82549 9.901188 0.653257 0.28190747 -10.852152 -0.30192196 18.395126 -20.173243 18.190298 9.600224 -1.2019043 11.040539 6.6033216 -0.25593716 -20.038301 7.732424 21.692978 5.493276 8.227667 0.9367621 4.775645 14.302978 -4.4254293 1.5167512 7.126235 4.7861304 13.691036 -3.1628613 -9.345896 14.313708 -8.160504 3.4112616 8.936938 -6.0655813 -17.619757 -0.5037346 2.6606445 -3.1220303 7.692459 6.8119874 7.642935 -8.237995 -13.503415 -0.36025956 -17.835825 -4.0552764 -9.258631 -8.071117 26.253763 7.7229443 -13.752621 -9.613398 -3.8118641 -1.8576667 15.008815 0.21359666 1.4215499 -3.5459247 1.8171661 13.135335 -6.3754883 13.529625 2.8805912 6.792332 -13.490757 -9.286661 7.769621 -7.519374 -7.727848 4.9059167 -1.3168254 3.1957371 17.711826 0.009312987 3.6898549 -4.843428 -4.974597 6.90205 8.935511 -3.924957 4.0598245 9.024593 12.529184 -11.957864 3.9931962 8.15953 13.226977 7.5921454 8.767017 -11.713682 8.091053 10.612631 6.4526105 3.0105917 -2.2360857 -0.41495824 2.5809355 5.898911 2.4901516 -4.3466697 -6.4076405 -5.8158426 12.7583685 -22.916838 -4.8908434 -7.141364 -11.7587595 -12.230991 2.5083213 -8.902116 2.0522158 0.12910245 8.77829 7.3471537 13.581984 -0.04804355 2.139447 4.5080194 -2.5190403 3.910499 -2.3186955 -7.080768 -6.238303 -18.622044 -14.556788 3.1707897 -7.5128407 -5.9159274 4.8459754 7.149078 -7.255132 -5.1383524 12.126034 15.151762 3.1290202 -3.3764184 -3.159349 7.238863 8.24649 -11.899378 -2.8134801 -7.2118254 -6.142263 -2.9919767 -13.373137 -0.51769865 -17.860512 -8.030073 -2.6111896 -0.11508744 5.2750425 6.773676 2.6837587 -6.584203 -4.070029 18.783482 18.74284 -7.43029 3.1978087 3.3998938 -12.310061 -10.56405 -21.588554 -8.864433 -11.63577 7.831307 2.454772 -12.84918 -8.885611 -0.5351399 9.373304 1.05812 0.22966856 -0.46151927 24.778557 -0.74311095 5.0015407 -15.463131 7.187528 -4.975682 1.0301594 11.662261

N-acetyl-D-glucosaminic acid is the N-acetyl derivative of D-glucosaminic acid. It derives from a D-gluconic acid. It is a conjugate acid of a N-acetyl-D-glucosaminate.

-2.271558 5.7742147 0.7942738 -4.551821 -3.562118 -8.609427 -1.764646 1.4628274 -1.1005894 0.8671829 4.190049 -5.7942734 -2.0418441 0.41186 -0.20082545 -0.6522911 -0.55779445 -2.0948222 -9.134572 4.07786 -5.7040825 -6.1208315 -2.0493028 -4.7697434 -2.5484102 1.6938572 3.1073534 2.701105 -1.4950017 -6.44044 1.6943767 -3.8195007 -0.53649426 4.781375 4.0685987 4.5919876 -1.8013139 3.771833 -1.3065163 4.0871563 -2.8643727 0.5251528 -1.7413328 -1.7130996 -3.7174654 1.0054214 -0.02774553 3.781169 -2.2725782 6.6858797 4.6192985 1.5720901 1.6664925 2.8192992 4.6095915 0.47564888 2.9026778 3.9614513 -1.0627654 -2.2962203 0.7924912 -4.7921133 5.3364196 4.2466507 -3.7784808 1.6324869 4.888853 1.0196654 -1.3787664 0.86790794 1.5205709 4.5830474 -4.9028053 -0.05584225 -3.6007679 -0.7028432 -4.5631027 0.95876265 1.006826 3.5325134 -5.0915966 -3.866616 -0.96244353 3.3666663 3.5636585 -4.7717147 2.0355394 3.5129733 6.0419073 0.83643585 -0.82865 -2.7079427 -0.6725874 3.2584214 1.3936539 3.6181488 1.0695702 1.014572 -3.2887542 0.20697266 3.8041832 0.1748443 -4.233337 -4.4036636 0.6554243 -3.7488012 -4.9260755 3.9961746 -0.5822704 1.7108928 -2.6975718 -3.791215 -4.0330167 -0.6599577 3.0131853 -2.9642165 -1.8485897 4.3693657 2.6054783 4.5771575 1.5643877 2.3430812 -4.8638754 -0.61645156 2.2666144 -2.9762847 6.6150093 7.853891 -3.1571002 1.6471919 3.4639585 4.2648587 -5.792845 4.4435525 6.4899282 -1.6633922 -2.0254896 -0.83673227 11.032274 0.88581455 -2.926817 -1.7738702 0.48866194 4.3589196 7.75422 -8.230188 -1.3736992 3.562175 -2.6258886 0.4242499 0.66078526 -0.16403599 -7.1470394 2.8248146 2.1363769 0.6523827 5.534619 3.5857408 6.6460404 -2.2747169 -5.8800054 -0.16401453 -2.2433333 -3.5472965 1.5921973 -1.457005 8.601217 0.73972434 -2.8448935 2.7922933 0.25627697 5.7268767 2.8131475 -0.8911636 -2.8331506 -0.14858802 9.56704 9.0680485 -4.8798895 -7.367669 -0.63352954 -1.8302848 -5.8214607 3.6974728 2.739177 0.8642887 -0.576554 0.3279304 3.75876 2.9049382 4.199584 4.3204412 2.0444472 -2.2968879 1.1023358 1.7288122 2.909353 2.08825 0.68088126 -1.6637377 -1.5754962 1.3052975 2.1595774 2.9737513 1.6744094 -0.63014334 0.6987591 0.84010863 2.4362948 1.563351 4.048249 -0.82032126 -0.16598514 1.115802 0.42857507 3.6259556 -3.9114587 -0.0083308 4.4591665 -1.2092179 -0.7927428 2.1639094 -1.5076648 3.7016242 -5.2606435 -0.109169595 -2.601923 3.7431922 -4.413621 4.41659 0.22586937 2.297008 -3.440733 -0.38515103 3.0332575 -1.7490401 1.4969734 0.53239 -4.6703544 -1.940271 0.7133295 0.41325712 1.016897 -1.7052768 4.8965497 -0.37977293 -2.1011646 -1.3308653 -2.6269345 2.0461736 4.9776254 2.4400024 -0.11282066 4.269195 -0.51636493 -1.5417284 2.9019525 -2.0591698 -0.23884977 2.121129 1.4787091 -4.0100985 -0.53132963 -0.42826924 -0.20831409 1.4062084 2.6262703 1.4753907 5.1272182 -4.3600893 1.1539227 -0.64195305 -2.287371 1.5046163 6.3375964 3.9927955 -1.8913376 -2.3783467 0.27538794 0.9491102 -2.4138007 1.7794211 1.9995872 2.0555058 7.362459 -1.677838 -1.3669026 1.4750587 4.990635 1.4260974 5.386545 -2.5935771 6.5854225 -6.3171806 -2.0503495 -7.190999 -2.8879938 0.025840424 4.393188 2.4116416

12-HPE(8,10,14)TrE is a hydroperoxy fatty acid that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroperoxy group is located at position 12. It is a hydroperoxy fatty acid, a long-chain fatty acid, a polyunsaturated fatty acid and an icosanoid. It is a conjugate acid of a 12-HPE(8,10,14)TrE(1-).

4.16018 6.7640676 1.3587221 -6.1147184 -1.3544202 -7.0274863 -4.0394406 3.6169102 -7.710373 6.49118 9.325253 -7.4752584 4.160857 2.360012 1.6950165 -4.6028767 3.7246416 5.5610523 -12.233095 3.1281297 -3.7769601 -3.8104086 -0.88156927 -10.933411 -5.019837 6.549877 3.6666207 12.76026 -6.378278 -6.2771697 -1.5311351 -4.5258884 -2.4130745 6.0682697 10.928956 7.5784984 -1.8599439 9.291433 -0.64912295 6.1487207 0.22828874 -7.181438 -0.4525965 -1.196928 -8.964604 2.2114186 -1.2769688 1.6894295 -2.1693754 3.2583377 6.613058 5.031035 5.568073 5.820049 2.2431087 -5.2570953 -1.4995185 0.5600998 1.933779 -4.9690485 0.12790544 -9.266584 -0.9405196 11.073198 3.445828 -0.43303812 1.5014389 -0.00049669296 5.403037 -7.6333866 4.7121916 -0.60159117 -6.0160184 3.225119 -1.2953209 1.5068712 -5.102497 7.729833 2.6006315 3.2530599 -4.950386 -0.90079474 1.4135809 9.677689 1.7994535 -1.5178081 -1.5654175 0.6595559 10.326951 -6.100717 3.2147207 4.211656 7.457807 -1.6221263 -1.1331757 0.2758274 -0.15264393 -0.15769714 2.042821 3.7956288 4.391882 1.7098832 -6.061196 -2.1987152 -6.6098404 6.158452 -1.6059425 1.0031711 4.500196 7.927401 -5.9479437 1.6865113 -10.819449 -4.349556 -1.0983258 1.0173669 -5.34871 5.7044477 5.4818125 9.997803 12.396785 1.5130588 0.2881681 1.0053504 6.834921 -17.27392 8.235818 11.462541 -3.702094 7.820571 10.008252 -6.2931805 -4.063119 2.4396005 7.4281726 -5.330894 2.5488353 2.045712 13.039887 2.6196046 -4.8250036 1.2352607 3.301232 5.656612 9.65036 -14.898634 -5.0888352 8.523382 -7.3816843 -0.5952944 -0.31252092 -1.8228424 -9.161886 3.1073575 -1.6616044 1.9650005 1.3854051 9.980524 14.471881 -1.5754853 -11.214471 6.0524693 -1.6669989 -6.1900992 7.5067105 0.517911 4.609998 9.969433 -3.8847504 5.76014 1.3536401 9.459205 -1.6653078 2.8383484 -2.8151622 2.2081037 14.157039 4.4598856 -8.289 -7.6531267 2.4416838 1.5503417 -7.311675 -0.24828032 7.0179424 4.664894 -5.2797017 -1.5132555 4.551644 7.4113965 3.7632296 12.259105 0.858823 -3.5454552 2.187525 5.6511307 6.2272034 4.4504843 6.658333 1.473064 -2.115052 1.5078408 2.7573392 0.8671311 3.4647205 -5.4478745 1.0306233 -4.1427126 3.3145046 -1.9352483 -2.6920524 2.270489 5.7425494 -9.620265 3.7974002 -3.4904823 -2.3519495 -5.304781 7.6795926 -3.727234 -2.9496164 8.419701 -4.8410597 5.1543393 -15.611753 3.2552516 -7.302368 1.1699715 -4.73248 6.675313 4.0395966 2.1608124 -1.499597 -4.7643394 2.515137 -1.3726647 9.009973 -3.272966 -7.1853137 -6.2650766 -2.8977258 -2.1595898 1.6403756 -3.5334382 0.97751004 4.684424 -1.2745911 -1.8465966 -4.5845447 8.581244 7.906597 1.1898248 -1.3477633 2.3967915 2.8400621 -4.610166 9.022697 -3.1632404 -8.255348 -4.4747705 3.8585987 -6.64077 -2.645688 -3.6374657 3.406785 2.5195806 7.194279 -4.2881837 7.798104 -3.4470224 -5.7234855 -2.4430082 1.1832408 2.848643 -0.07551937 11.782605 -1.9469002 0.502075 6.027916 -5.37222 -7.5575595 4.552661 -3.7406788 0.09967679 8.126539 5.4309034 0.6440342 -2.1642172 8.284108 6.4690733 6.791979 1.9281611 5.0957155 -1.3123649 2.2483852 -2.7908723 2.6909766 1.7817639 4.4470725 3.3097742

Feruloyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of ferulic acid. It derives from a coenzyme A and a ferulic acid. It is a conjugate acid of a feruloyl-CoA(4-).

4.3329835 21.754463 3.7387233 -6.8233676 6.8992963 -28.393265 -6.075899 14.102489 4.8622327 13.503235 20.557858 -16.721403 1.347623 14.733572 10.044495 -7.5490375 9.948934 -1.0124061 -37.356506 18.49198 -19.675264 -18.405043 -17.675083 -18.118227 -16.630266 4.99066 5.113407 22.015806 -7.8565254 -14.366715 0.52925587 0.35146663 5.7480373 16.922503 19.84562 8.943945 6.3520827 17.39505 1.9039282 0.94635105 -12.0917425 3.8367264 -5.701197 -10.96283 -15.679597 -2.2412937 11.074424 -2.9523993 -1.4111966 10.639425 22.348482 -1.3817612 11.227794 11.286038 16.418253 -3.6054268 -0.91690123 -1.1196125 -8.8619795 -13.52961 2.566743 -10.118155 9.820004 16.486446 -6.1240892 -1.5487509 5.893387 2.1026287 5.3453097 4.210937 2.5740058 7.647741 -21.342148 9.436788 -2.1676736 0.9930792 -22.587341 13.788943 9.353431 10.830178 -7.0162325 -11.056162 -1.215008 8.050928 2.009179 -3.7526186 8.777571 3.554158 19.263 -11.488879 -5.738555 -5.7726746 7.8566236 4.359809 -4.980451 -0.8289106 15.379444 -3.2271166 2.148543 2.381464 10.297614 5.106945 -13.977497 -2.8331254 1.8188963 -1.1917921 1.6051135 -4.1246457 8.321977 20.20628 -18.445845 -6.4141564 -13.570007 -4.4646497 17.23417 -4.494112 -2.314807 3.0181472 12.796075 14.819053 17.824022 -2.419684 -24.919554 -1.0365694 15.028451 -24.070518 30.057947 16.08411 -6.9392743 20.586386 11.94106 1.8384572 -21.785175 18.571886 29.497107 3.175048 6.3497334 -2.7751722 26.815819 20.362415 -1.6227045 -5.003713 4.0198083 16.822645 30.033232 -25.531982 -8.138431 25.27485 -25.001049 4.4641385 19.240314 -1.4208597 -28.338045 5.714167 -7.958657 7.0939484 20.074085 19.187756 23.146206 -16.002552 -14.7254925 1.0706704 -21.355034 -9.760298 12.898264 -12.100137 33.735504 14.10174 -16.296906 -5.2213306 6.47887 12.395928 14.776877 -6.739733 2.7266045 -6.878718 25.00778 8.688927 -3.2946572 -1.1273826 4.0773945 -4.442856 -10.414624 -3.938999 16.156294 0.021808833 -5.159413 -4.025128 0.7937584 -2.5271227 17.491087 8.739833 5.6283464 -5.2241955 -6.003493 8.766283 6.24177 -6.5050282 -2.4037461 -2.3474607 -5.2878532 -12.838837 13.359642 16.636045 2.3896983 3.5643957 1.896564 -5.2775187 14.91538 13.409678 3.6773891 7.9022503 1.3019632 3.639303 3.7520106 12.397339 -5.4422445 10.054586 11.326639 -2.3726048 -1.1842012 -11.983761 -11.470571 7.70883 -16.642519 -10.0413685 -2.6389327 1.2833452 3.0280485 -4.237874 1.4806244 17.622526 -5.735418 -6.4405494 -3.1606276 1.2750925 14.064012 -4.0429764 -4.329043 -6.7101593 5.8187995 -1.3353392 -2.6750407 -5.5071535 11.935158 -2.309405 0.9880684 -8.8618765 -4.697703 -0.47276837 13.25999 11.08659 7.281863 0.864726 -4.6962914 7.6380663 4.946759 -22.148819 -4.3129025 -4.7601523 -4.1671085 -11.739537 -7.9852467 -0.7488385 2.1381812 -3.3202858 9.441886 4.357549 7.987546 -4.4171658 1.3293781 3.9960363 12.951964 1.1831417 24.35559 3.6185277 -0.7907521 -8.792025 0.95879704 2.6314256 -2.632683 -8.071779 -10.651175 4.6957493 13.592227 -12.193127 2.5978153 -6.3675833 10.769117 -4.925141 12.6648035 -4.0379224 16.670467 -6.5017405 3.1335819 -17.676596 -2.504669 7.635909 7.6952295 9.18404

N(2)-(3-carboxylatopropionyl)-L-arginine(1-) is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N(2)-succinyl-L-arginine, arising from deprotonation of the carboxy groups and protonation of the amino group; major species at pH 7.3. It is a conjugate base of a N(2)-succinyl-L-arginine.

1.6751801 4.100006 0.12930143 -7.270543 0.3954605 -8.309075 -3.4076002 4.6391554 -4.166815 4.2118278 3.997646 -6.983469 0.45234075 -5.1475997 -2.3495202 -7.3702116 -1.5119851 -1.1464475 -6.2216535 1.4897101 -5.8744264 -5.1949124 -5.070081 -5.6356378 -1.4350417 4.4492483 2.9501982 3.015778 -3.1470191 -7.44246 -2.0956593 -5.205069 0.053889845 5.427451 3.9779804 0.6630152 -3.0851746 5.429287 1.5820729 8.3877325 -4.538827 -3.1211886 -0.70821166 -0.37803686 -8.093537 1.1129262 -2.0051823 1.554199 -4.9855933 4.206841 5.6567035 0.6301434 3.2449486 4.5621634 5.0086436 -0.41786486 2.5092375 -1.5023043 -3.1733453 -1.7689327 2.4349518 -2.863797 3.4924111 2.0020564 -2.7195978 4.086799 3.9025657 1.6178135 1.0231521 -0.10693166 3.093952 4.042937 -7.8792973 -0.8115003 -5.52785 -1.5913227 -2.5025823 -1.7476895 -0.4004309 5.402966 -5.597097 -5.9566817 -5.3171954 4.4082294 3.0286036 -2.3140583 0.05672075 5.439113 2.0902095 1.7505978 -1.1922152 3.2971852 -1.806957 2.650047 -2.6958709 0.4390337 1.288135 -2.0689313 -1.8688356 1.2845504 3.8385746 1.2950468 -4.771114 -2.9837017 -2.1393468 -1.846584 0.7204606 -2.518569 0.31538305 4.3395414 -4.5741 -0.1360012 -4.2829514 2.5594826 4.0274835 -1.617055 4.433672 0.5572339 2.355968 4.912456 6.198937 -2.6283898 -3.303419 -0.5382995 0.036474973 -5.931576 7.131288 7.972426 1.3636628 1.791922 8.504091 -1.3998368 -2.289222 4.8937135 3.4403684 -1.2697477 0.10182912 -0.20727614 11.508103 -0.880772 -0.27889913 -2.2500849 2.4730525 5.3748016 6.546198 -7.301115 -0.5851533 5.5750775 -4.97539 0.79372364 1.6824447 1.4821918 -4.185718 -1.2047113 -0.43927118 0.20414998 7.539926 3.8678432 6.6726832 -1.2014694 -9.356367 0.96359015 -1.5218443 -6.0814233 3.842668 -6.5193 6.469536 3.8662791 -5.293047 1.4683036 -1.2310783 3.9208438 0.82055444 1.5961775 0.7624223 -3.5087855 7.0003114 5.677137 -5.2359586 -11.365295 5.2670465 -0.50643843 -3.8036432 1.5165118 3.9357276 1.0275055 -3.2563024 0.94973606 4.05859 6.2145886 8.270612 8.894191 -0.725919 -0.5787413 -6.513949 1.3971313 2.8584042 3.8389091 2.1820452 -1.8627576 -6.5373545 -3.0647523 2.437702 6.3088136 -1.9062377 -3.76596 3.8469596 5.024522 3.7023513 5.141665 -1.8245975 0.97186875 0.4753055 -3.1727943 3.2572904 0.6750097 -6.18814 -2.1092901 3.7921512 1.1384044 0.66997623 0.75740975 -4.7717876 3.6223207 -8.747727 0.3946941 -1.4945588 -0.75771356 -6.8033967 3.2457619 -2.387171 0.66605246 -7.487142 -2.6331398 3.5985494 3.0130591 7.4730234 -2.0378804 1.0013174 1.1608554 4.270861 2.096437 -1.598266 -1.2786797 1.5431418 -3.8919537 0.53367007 1.2667501 -1.8904164 2.667235 6.822873 0.43427753 -2.0430827 5.3899007 -0.14752547 2.532091 5.841695 -4.936631 0.54438674 -3.31678 3.1523924 -5.627151 0.68609583 -0.9710754 3.57215 2.0529945 0.29237843 3.3230052 5.737337 -2.6324344 -4.904332 1.9862392 6.6017256 4.1112447 3.2558708 0.80335784 1.9478173 -0.2750278 -1.8742076 -0.82395965 -1.9309361 -1.6214266 -0.96791285 -2.8335607 6.510819 -0.86346924 1.1275272 -0.9476457 2.2730298 -2.0109715 10.805782 -0.21696123 3.3059433 -2.0841842 -0.9910513 -6.345308 1.1274005 1.174217 6.1160398 3.391137

Dinoflagellate luciferin(1-) is the linear tetrapyrrole anion that is dinoflagellate luciferin protonated to pH 7.3. It is a conjugate base of a dinoflagellate luciferin. It is a conjugate acid of a dinoflagellate luciferin(2-).

0.47318724 9.269253 -7.3904204 -2.304038 -9.856209 -1.7640485 -3.9978266 4.238705 0.8208481 2.4487226 2.2895992 -10.606649 5.678599 19.450397 0.12093236 -6.205504 10.568362 1.7006834 -14.859097 4.7203665 -7.175064 -9.235069 -5.916844 -11.911687 -6.477913 3.6471627 1.8834426 14.894477 -6.7143526 -7.720021 -4.457753 -3.493401 5.544874 10.716197 9.974804 7.417572 -1.8342166 6.5225654 -2.0265288 2.5890284 2.1977777 -3.9656453 1.8996096 -11.647559 -4.35446 -3.7271562 5.266697 -2.1802793 2.5262415 5.1160927 9.3331995 -5.944444 7.6849055 13.569278 2.7389007 0.90485495 -0.91388106 -7.122349 -5.2779384 1.1594111 -1.4532188 -0.8341526 -5.736326 10.340808 -1.742985 1.3208911 1.5528723 10.326046 3.185859 -3.639369 5.971581 4.9645867 -11.487044 -9.926016 -2.120803 -6.335968 -10.529012 13.740086 14.0077505 13.334835 -0.09484035 -10.098505 4.8270283 8.488447 0.30650908 -0.07304762 2.445495 -1.0005492 10.396454 -9.670714 -6.9650817 3.2883623 4.0428596 -0.5369903 -5.913022 9.414734 2.586888 1.2832192 -2.649836 0.5763573 3.6694934 -16.461607 -16.198595 -4.519119 4.6267443 2.3174348 4.87848 -7.4911475 0.91290337 5.639966 -4.5657988 -0.6968642 -11.962774 -7.126013 7.539515 -5.7828608 4.838937 -4.673609 6.7291045 12.794369 8.852351 -1.070282 -11.701361 -7.24315 10.468595 -16.976582 17.113316 0.6661069 -0.6813307 10.70293 12.721833 -8.451098 -15.749666 3.1128323 21.457396 4.5526767 6.053727 0.4541418 17.647276 16.799566 -6.48172 -4.183092 -3.748248 12.478992 11.254968 -8.48868 -4.0217295 8.554481 -10.0119705 2.1123092 2.219004 -0.15720023 -31.081797 0.39112264 -1.2169983 -6.005726 13.735467 7.388362 6.128217 -12.823645 -9.216338 9.630213 -9.089428 -7.393236 6.254082 -7.69971 11.006945 11.436596 -4.0016346 -0.2805099 -4.739019 4.006888 6.826938 -3.6632707 0.1401819 -5.7306676 5.8182406 8.707651 1.7603276 4.218818 5.689989 -0.98212624 -7.6715493 -6.7350745 7.1285663 -12.544744 -12.859267 9.895611 6.314249 1.7341955 13.426044 12.066384 0.97476035 -1.3619162 -6.836037 2.1516862 5.5790544 -4.27877 1.8121132 -1.8317347 -2.3564837 -10.646841 8.177384 9.689473 -4.238696 2.1141944 1.9103091 -6.7148156 5.8095884 3.9233327 1.2443868 12.496245 7.706121 -2.862375 12.385396 -1.6691467 0.684886 -0.31315207 -0.11503014 1.1633649 3.9563546 -11.605371 -8.364896 3.8613067 -17.953712 -6.374841 9.071284 -9.641589 0.3291891 -9.053214 1.9053857 7.708645 4.931601 -9.393351 2.973804 -1.7456704 7.0216985 -1.8838123 3.8245475 -1.1868342 5.5850863 -10.510417 -8.719549 -2.5557325 -0.29102993 -5.995368 7.4251866 3.6279228 -1.5525608 1.0045235 11.321819 5.7615027 -0.73650354 3.8710852 -1.8812317 1.8216385 13.338118 -12.687341 -0.68217736 -10.725052 -0.31046033 -9.43093 -11.868108 2.1655474 -14.106679 7.436826 2.551572 -1.0034895 5.6584697 2.9816332 -1.4608988 0.14344539 6.803608 14.006342 5.449578 -6.22733 6.840923 8.616881 -0.18767023 -9.586366 -19.39511 -7.3819222 -11.802776 3.947009 9.016472 -9.831325 -2.900622 0.7287949 14.930559 -1.7039568 4.429883 0.149685 16.140188 -3.0747983 1.4366429 -8.73901 5.490888 0.14349195 2.855528 6.661334

L-threonyl-AMP(1-) is an organophosphate oxoanion obtained by removal of the proton from the phosphate group of L-threonyl-AMP. It derives from an adenosine 5'-monophosphate. It is a conjugate base of a L-threonyl-AMP.

1.716761 12.289071 1.411649 -3.3140724 2.5951233 -17.586014 -5.702 6.9959073 6.8402977 4.72632 6.96156 -12.7161455 -3.4818087 8.573748 3.5261333 -2.943715 1.0121006 -2.8506975 -21.530245 7.8111086 -10.36951 -9.242148 -12.334461 -5.0249395 -9.738982 1.5302899 -2.298786 7.696269 -0.42881626 -9.291073 3.252756 0.34114182 2.0901217 5.7137156 13.304263 0.8142596 -0.6865491 8.029836 3.3514562 -1.4376714 -7.7155924 2.2869873 -3.7815175 -3.4732258 -8.012019 -0.40495807 2.6759589 1.6432836 -0.5112349 6.536814 10.81409 -2.4174135 4.7872705 4.860932 8.835097 -2.51775 0.17600004 -1.680109 -5.64257 -6.4454436 -0.17134069 -6.4935727 5.21709 5.7722406 -6.176857 1.3097613 4.0313783 3.2322648 0.25963712 2.0492334 0.14786346 3.44277 -10.26983 0.8595327 -2.3116326 0.95090896 -10.8128605 7.961179 2.5966568 6.680067 -4.3786016 -4.98834 0.1964724 6.005404 0.597354 -1.5686679 8.691808 3.5528488 8.289995 -6.569516 -3.3088388 -4.2981224 1.1162975 -0.19457284 -4.2434907 1.0582607 6.32064 -0.12369947 -1.080762 -1.1033376 4.534523 1.183036 -8.609817 -0.162835 3.94528 -2.9102442 2.8274 -0.8396406 1.284042 8.079322 -6.2847524 -2.2768235 -4.171501 -2.3191566 12.158533 -2.1151562 -0.028191209 2.2909744 11.567287 6.566505 9.587871 -1.5637671 -16.665758 0.05525358 7.5210094 -11.498745 19.03421 8.59837 -2.9088728 7.4017167 5.151731 2.9304292 -10.773341 10.806235 17.860094 1.851751 3.4640534 -1.7011435 14.035355 9.323485 0.9322714 -3.0998251 2.480757 7.3235574 15.642542 -9.1196375 -3.5627177 14.628476 -12.313446 0.696814 9.456593 0.71664083 -16.413198 1.0374937 -1.5885313 3.1580117 12.435095 10.026616 11.069807 -6.4922543 -5.8710947 -0.2808547 -11.266889 -5.4434195 3.3758345 -9.410365 21.8811 6.103136 -5.2582006 -1.4938211 2.1931155 3.00959 9.2535095 -4.776379 0.94202274 -2.5193229 8.974004 2.9816074 2.367937 -1.5552987 -1.990181 -0.22264285 -3.5011306 -4.436016 9.070881 -1.546763 -1.533262 -2.4053257 1.4752265 -2.3957982 11.966331 3.6893353 0.5134983 -2.3281767 -3.9058554 1.5512627 -0.51799214 -3.6060524 -1.4568985 -1.8896319 -0.58527315 -4.1088943 6.288452 9.636541 4.1407447 2.4114122 2.450219 -4.5938706 8.0079155 7.7050776 3.4360924 1.4997919 -1.5839423 7.435757 -2.0224063 9.623386 1.0969713 5.7459574 4.6508417 -2.520278 -1.3026851 -12.617504 -4.830191 3.0247746 -9.05177 -6.932103 -3.4995003 -3.6490862 1.6499596 -1.8658314 -0.17818436 8.129545 -1.6763561 -1.5864722 0.7541342 1.7009764 8.86021 -1.5074733 -2.585518 -3.735983 0.6879872 -4.669178 -3.2531462 -1.672988 6.5992208 -1.239808 -0.2813736 -4.855828 -2.5042388 -3.290358 5.850358 4.939368 2.8372138 1.2002635 0.99280065 8.190608 -1.1710131 -12.823189 -3.1624281 -1.0877645 -3.6243584 -3.9292498 0.22422644 2.9900348 2.7651792 -1.8326038 2.020735 3.6218257 2.3385344 -0.76031363 0.9744829 3.6044817 4.932709 -1.8413414 15.179288 2.5797017 3.8991504 -6.23652 -0.33207643 2.6368105 2.4397602 -5.694672 -1.822565 1.4075205 6.0415096 -8.069989 -1.1940215 -5.33137 3.1280637 -4.601428 7.467042 -1.0115477 9.044924 -6.7754817 0.9462471 -9.840233 -3.7273479 1.997285 0.4659318 3.2727704

Clenbuterol(1+) is the ammonium ion that is the conjugate acid of clenbuterol, formed by protonation of the secondary amine nitrogen atom. It is a conjugate acid of a clenbuterol.

-1.1977633 1.8242944 -2.045267 -2.105204 -1.094456 -2.3338187 -5.799406 1.1942551 -1.480877 0.49265167 6.4531612 -4.683695 -0.37783208 4.3566785 2.4183886 1.2969543 4.5550165 -0.6823388 -10.74051 2.4989831 -5.2714186 -4.98309 0.64763725 -4.8631225 -2.2609947 0.55423814 -0.4025946 7.309612 -1.5403848 -2.8405783 0.18608183 -2.8068368 4.9036093 6.8006797 1.385399 6.43705 2.3281586 1.0964068 -1.1579369 -0.13756303 -3.2217767 -2.199889 -0.5664159 -5.5818095 -0.23169966 -0.96653396 6.8870244 -4.7423024 0.077427685 5.3321204 3.6150517 0.6134214 5.9935803 0.88183326 2.3362703 5.070837 -1.6578437 -0.97727543 -2.7435477 -2.5640585 0.8254663 -1.9312576 3.1043613 4.967359 -0.13117765 -0.6259999 3.1189814 2.372489 -1.6091142 3.7888675 1.6258993 5.156166 -3.0582755 0.5365286 -1.341239 0.32368967 -1.6740763 3.5817747 7.788711 5.835384 0.19725741 -0.51834893 0.7073672 0.7968137 0.21023653 -3.221999 1.5634875 0.8525721 8.308768 0.25249356 -1.5189078 -4.9376154 1.1258477 2.5146604 0.7548076 5.224853 -0.29493135 3.592707 -2.7345128 1.7919159 3.7060554 -1.971312 -3.7670672 -2.1873806 1.1684955 -0.23214018 -2.542284 2.2158015 2.5388045 1.9843441 -3.9170237 -6.1510286 -4.3183956 -2.5770261 2.6555607 -1.3890225 0.92172366 1.1450706 -0.5669118 3.4569864 2.100556 -3.3138475 -3.3099146 -0.9505161 1.2932096 -3.5965173 4.3429036 3.3619967 -1.6606437 3.1145298 3.0997474 -1.8894885 -6.2445245 3.1085246 4.156146 1.387174 -1.6413505 0.30307657 4.387012 1.6002817 -4.03461 -2.4628263 0.08331379 1.2658148 5.872019 -9.834777 -2.4656928 3.5598667 -6.5868454 1.0546218 3.1662781 -3.0312352 -9.119023 2.3672395 0.6348375 1.2316241 4.6296415 0.9386941 -1.2997621 -3.7085326 1.51345 0.08234395 -3.9975786 -4.2679343 1.5907805 -1.2454696 7.8718724 4.7197638 -1.4490517 -2.5723007 -0.9512811 2.446162 4.176128 -2.7995572 2.0866752 -3.1112492 4.2501993 0.71844405 -3.4945843 -1.1826806 3.3010979 -1.3233635 -2.638191 -2.457114 3.959212 0.20562345 -3.82842 2.8981574 1.2977461 0.8194245 4.1338916 1.7603695 -0.46701556 -1.1027935 -1.4995117 0.3692721 0.5172647 -4.3269124 -0.46418113 -1.2485415 1.6741778 -5.016114 4.4049034 0.58660764 -1.5989177 0.26139948 -3.3189428 -1.6456188 3.6234841 -0.695477 -1.0202479 5.727335 1.4001735 1.9009138 1.695737 1.4529239 -1.8358073 3.1801047 -1.0446374 0.33521363 4.574064 -6.6587205 -3.0757024 -0.32780463 -5.3755155 -1.8248669 2.933362 -5.1048717 1.7637726 -1.3117576 3.7286878 7.0652604 2.0325704 -0.196783 0.43971762 -0.0056200908 1.6999131 0.8119701 0.20817468 1.1339223 0.7733184 -2.5952837 1.3550898 1.1544652 0.41574493 0.6828469 2.0872943 0.96292233 -3.8390222 1.2103257 1.2756345 6.5201235 4.564942 0.92362946 -4.8198953 -2.369221 2.3605952 -2.7100616 2.618274 -1.6285858 0.93353164 1.333459 -2.2588475 0.5918635 -3.4682019 -0.26354522 1.1073462 0.87043595 3.257313 2.4853776 2.9819384 -4.084239 -0.8550557 4.733238 8.718942 -5.3654914 0.29893968 3.706239 -1.5423949 0.23600172 -7.5645456 -4.1662245 -5.581211 3.7502546 4.851553 -0.9964189 0.2838701 -0.103911415 4.0037947 -0.47301215 3.3745792 2.1553411 5.057184 -7.1025662 1.5309265 -4.665505 0.32534045 5.627223 -0.11690961 -0.22831395

3-methylphenylacetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group. It has a role as a fungal xenobiotic metabolite. It is a monocarboxylic acid and a member of benzenes. It derives from an acetic acid.

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Leflunomide is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide. It has a role as a non-steroidal anti-inflammatory drug, an antineoplastic agent, an antiparasitic agent, an EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor, a hepatotoxic agent, a prodrug, a pyrimidine synthesis inhibitor, an immunosuppressive agent, an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor and a tyrosine kinase inhibitor. It is a monocarboxylic acid amide, a member of isoxazoles and a member of (trifluoromethyl)benzenes.

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2,4-dimethylhexane is an alkane that is hexane carrying a methyl group at positions 2 and 4. It has a role as a human metabolite. It is an alkane and a volatile organic compound. It derives from a hydride of a hexane.

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(S)-modafinil is a 2-[(diphenylmethyl)sulfinyl]acetamide that has S configuration at the sulfur atom. The racemate comprising (S)-modafinil and its enantiomer, armodafinil, is known as modafinil and is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The enantiomers have similar pharmacological actions in animals. It has a role as a central nervous system stimulant and a eugeroic. It is an enantiomer of an armodafinil.

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Trichostatin A is a trichostatin and a hydroxamic acid. It has a role as a bacterial metabolite. It derives from a (R)-trichostatic acid.

-0.08860564 4.702847 -1.8467593 -6.000321 -1.7168256 -7.43927 -4.6174154 3.0199637 -7.9283557 5.6672344 9.673702 -7.049738 4.735651 2.5100882 4.753082 -4.2207584 2.057454 -1.6343013 -10.524125 4.537982 -4.1317434 -4.525905 -1.1035076 -7.8514595 -2.5542114 -0.013731953 3.6858408 9.347252 -1.6118759 -9.366459 0.12368927 -1.584708 -1.9971377 5.582386 6.710014 5.23907 1.4242963 4.5456142 1.6439339 2.8721695 -0.30850583 1.6131862 -0.08571157 -4.5159316 -2.3655386 0.35905066 3.1777558 -3.4056885 -1.8004597 3.5752037 8.405753 -0.60908294 2.5014057 2.85588 1.1719729 -0.944873 -1.0392103 -1.8867102 -2.4687438 -1.61057 -0.84121144 -0.58589566 2.0521328 5.243018 -5.3542795 4.9117427 2.839339 -0.047323182 0.5024481 -1.294459 2.050737 2.9006128 -7.301377 1.6278033 -4.4937477 -1.5795557 -7.100753 3.411136 6.141478 6.8204727 -2.9565911 -2.0264163 -1.3843225 4.597437 3.02118 -3.7490807 -1.1533659 -1.4348319 5.684595 -0.3853357 -1.1349479 -2.2807624 0.014280032 3.155088 -0.033633918 1.0479085 0.36713126 -1.6168696 -3.7696095 -0.82201064 0.47558653 -3.950911 -3.581609 -2.2305076 0.7575384 1.8803949 -2.082873 -3.8910198 0.007814094 2.1200283 -5.215126 -3.2304795 -9.203351 -4.686296 3.4227433 -2.3326674 1.0724931 7.587471 -0.571996 7.081014 3.6259928 -1.9434061 1.7523606 -0.31895977 5.264824 -8.417275 7.8393493 8.045328 -1.5093375 2.8307753 7.054405 -1.3754925 -10.348707 5.1411877 3.1216264 0.07313317 -2.5310173 -4.6559515 6.8284483 3.0938795 -1.7692862 -0.16617438 -0.3353644 2.9612586 6.7296023 -10.402045 -0.90070724 2.511697 -4.4207935 -0.45740396 1.7622365 -4.308429 -9.153865 4.622736 1.7089119 -4.9760685 0.54176295 0.846627 4.470337 -6.5336285 -4.2551565 1.5685744 -1.5086038 -3.2258306 4.4208655 -2.1022809 7.91495 8.419477 -4.6957936 -1.1648742 -0.6893915 5.623003 3.0541606 4.207915 0.6940166 -3.4234934 6.7465796 3.8782969 -7.401149 -3.9250073 6.28597 -1.9435189 -7.0837846 0.46471214 2.7560353 -0.052647628 -8.456755 3.4127336 -2.5642452 1.3462434 6.730485 2.3450017 2.0068092 -2.0400784 0.43263996 -0.57616246 7.0632463 -0.9287876 1.5567126 2.4157724 1.4564732 -4.636454 0.8463357 2.2582195 -0.0392406 -1.1839453 3.2913234 -1.3631848 5.698322 0.95598954 -1.7172278 5.2630997 4.823785 -0.6961844 5.458941 1.7684815 -1.6958497 1.6398556 0.30612314 -0.80348134 0.7576443 -0.6421257 -6.894675 0.035250008 -5.488791 4.450155 2.5628283 1.1433041 -0.6199901 2.1891966 2.0942328 6.795507 -2.0839825 -3.3178341 0.6852809 0.22589126 -3.708832 -3.2215004 -2.301785 -3.3903396 -0.8318536 0.814718 0.33132815 -1.4437352 -2.282422 -0.076889545 -0.22843531 0.5974352 -5.6516676 3.6194355 3.5761688 3.4931266 2.6652482 3.0155663 -2.8847458 -1.63711 4.162272 -1.5522885 1.0378511 -3.7917113 0.77694255 -2.8503222 -4.1401587 0.1693192 -4.000377 4.0909777 3.545215 2.9772713 3.237629 2.1597638 -0.8121923 -3.6536825 1.4217699 6.226486 4.216359 -3.773772 0.89831495 6.3649716 2.0856278 -1.3877867 -10.134632 1.0797883 -1.738698 5.570399 1.4245243 0.53647107 3.431563 -0.67971754 3.5390222 2.2688313 3.8633232 1.5979806 3.0600746 -3.2484756 -1.1004828 -5.7392955 1.3963786 2.4027922 3.5065491 2.8062694

Dehydrovomifoliol is a fenchane monoterpenoid that is substituted by methyl groups at positions 3, 5, and 5, and by both a hydroxy group and a 3-oxobut-1-en-1-yl group at position 4. It is a fenchane monoterpenoid and an enone.

2.029927 4.279251 -2.2017584 -2.742557 -4.979294 -2.512818 -3.451069 0.1658437 -0.9114409 4.9238677 8.758953 -4.480476 2.2380846 6.8602657 2.6793818 -2.8659174 7.1521745 -0.9759295 -8.48641 2.0102592 0.4515461 -7.7982736 -3.0478344 0.13042185 -3.9246843 -0.6122526 0.98658204 7.9569225 -1.573864 -5.6703954 -1.067766 -0.9904834 -0.76652414 4.115291 5.0873685 3.877831 0.01433827 2.988188 -0.6950329 0.80110174 -0.23981321 2.1505375 4.666897 -5.0746727 -1.2190593 0.7128845 0.7219515 -2.2140682 -1.3167804 0.6944764 5.3341427 -2.88854 1.1816008 2.344732 0.49636543 4.6249566 -1.7507807 1.4470311 -0.9316967 -1.0270114 4.0978603 -1.3314849 -2.5459194 5.535625 -3.3535185 -0.16602534 2.9426699 4.8754206 -0.18936577 -2.3193767 0.82705015 0.5951727 -6.278673 -0.4997282 1.5527062 -1.0849609 -2.0370545 4.7719064 4.132256 4.422992 -1.6413292 -1.3633058 -0.5357399 5.8817077 0.69813806 -2.9088185 -0.8320246 -3.362218 6.1743 -3.188953 0.066147655 0.30908078 0.38488623 1.190341 -2.5774436 3.984337 1.7037252 1.6063917 -3.8442948 -0.56032455 1.2194017 -7.102842 -4.4560304 -0.9045563 1.9507438 2.0368016 -1.2543837 -5.043784 -0.51014096 3.4059937 -4.472542 1.8813773 -2.50223 -3.7996047 3.7491345 -1.3200196 -1.6483742 -0.43951276 1.2724913 5.069785 1.3093153 0.28308994 0.7628192 -0.63942367 4.0564322 -6.681345 4.872886 2.084114 -1.0506209 4.8819866 1.1933477 -0.08936679 -5.704434 -0.4155626 5.363493 2.2732234 1.6382867 1.4256852 7.052749 6.9612985 -0.9123919 -0.31809694 -2.73476 1.8155098 1.3974377 -7.1450586 -5.317664 1.8970833 -1.6645668 -2.871901 -2.8303466 -1.7397133 -7.010992 1.8385329 2.08977 -1.5539244 0.60250837 2.61323 2.5521696 -4.0681343 -1.6979733 3.4550726 -1.377529 -2.247548 -1.0426663 0.5189046 4.1092944 3.7561588 -4.981865 -2.3410838 0.39093417 5.2989845 0.25687635 0.9014954 -1.4528521 -1.9905368 2.2902145 3.520462 -0.9963491 1.3249438 -0.82318246 0.32896096 -7.360052 -0.8348836 0.78368324 -0.18677935 -8.604545 4.343714 -0.92021877 0.21759778 4.700409 3.5615351 2.439359 -3.7240798 2.9370875 0.37334102 6.5917234 -2.1109776 1.2666919 1.3359554 0.3234694 -0.5841298 0.74861807 3.6361465 -0.2710213 1.1200532 3.5962973 -2.191166 4.3493986 1.6786325 -0.049517468 3.1442108 1.0870295 -3.877802 4.127347 -1.6193746 -0.20669696 -0.56977105 0.18311112 2.2468576 1.7633075 0.072928905 -2.8607686 -0.036136396 -1.7997501 -0.6779647 2.056397 0.31498927 0.957873 0.5965099 1.2750878 3.1903317 0.9118853 -4.5906944 0.9740876 0.43632278 -0.81591946 -2.7155523 -2.189429 -6.7096643 -1.7141465 1.3500241 -3.2277184 0.5990623 -3.5104992 -2.348489 -0.23363148 2.6398573 -2.4301908 -0.9840261 1.5122573 0.9166363 -1.3592222 0.45560545 -0.81910485 0.27928746 3.0889444 1.4917988 2.008399 -2.1553957 -2.5006955 -2.458638 -4.564792 1.142963 -3.242844 0.2986222 3.5365798 0.5032216 0.90290654 -2.5758622 0.77529275 -1.0593469 -0.70484924 6.4537935 -0.49788916 -0.5761462 0.049926884 5.4945097 0.7669662 -2.7527258 -8.275066 1.0701711 -1.1510441 2.1551752 0.35778242 -0.65061677 -3.3549826 2.4588728 4.065819 3.246985 2.3246636 0.2647854 5.008478 1.9763016 -2.352438 -4.5111427 2.3339264 0.11556702 1.2281693 3.3269796

Benzoylhypaconine is a diterpene alkaloid with formula C31H43NO9 that is isolated from several Aconitum species. It has a role as a plant metabolite, a human urinary metabolite, a xenobiotic, a rat metabolite and a phytotoxin. It is a benzoate ester, a bridged compound, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a secondary alcohol, a tertiary alcohol, a triol and a tertiary amino compound. It derives from a hydride of an aconitane.

2.3949277 9.129917 1.0852798 -4.7461076 -6.08688 -14.753516 -8.276575 -5.4652424 7.0385237 7.202317 8.992147 -5.287037 -3.126139 16.010763 5.573794 1.6184635 16.101221 -3.6424513 -18.480818 13.32635 -3.6118813 -10.427036 -9.872707 -0.8563855 -11.938086 -2.110252 -0.93381876 17.29126 0.016838357 -8.088126 3.757325 -2.5036757 -1.6341261 10.517937 13.637553 -2.6078212 -1.5189382 12.168315 -4.7711596 -2.8329813 -9.462716 12.362514 8.490681 -7.6097593 0.20777234 -10.475515 2.394361 -3.0437686 -1.9196099 8.963313 11.750355 -10.880853 6.015395 -1.673637 6.016548 7.045395 -7.944585 6.6930857 -10.209613 -2.0887988 8.502092 -7.9716535 -5.081449 21.583845 -3.7655256 -4.5677814 2.0500762 3.3610375 4.3049183 -2.168788 -10.786577 4.297375 -10.131626 4.574239 5.091203 -3.0222208 -12.007814 15.812179 3.4245949 14.247594 -4.8710184 -3.3863153 -2.3945506 8.650865 -1.7207011 -10.101021 6.0485854 -4.8662624 19.077065 -4.3619947 0.8661828 -0.27139086 -1.4723685 3.7894213 -4.0638475 6.211924 2.3410816 3.5693328 -3.4648538 -5.5565057 3.6747954 -9.351979 -12.784253 0.1609563 9.939411 7.3998876 0.8852297 -19.249296 -7.1645627 12.696516 -5.199615 1.4580946 1.4479506 -2.4876263 20.022364 -8.587633 2.6197839 4.1424003 7.488225 4.9350405 2.0478017 3.1351144 -8.143903 -0.14050002 13.818209 -21.94767 15.036322 5.663325 -5.1273108 12.408752 4.089234 3.6543458 -17.145418 13.951071 18.129084 7.4843993 4.351253 0.28361577 12.207578 13.650768 -7.500502 1.103059 -3.1411083 -2.7159383 10.742434 -11.391401 -8.536653 9.858547 -8.917444 2.2556062 3.6921217 2.3222158 -13.736416 4.7416487 2.02576 5.467294 10.397939 6.857631 14.38841 -8.931081 -14.9443 -0.9584859 -8.847223 -2.7533853 -4.460769 -4.887278 26.596207 9.621857 -19.240637 -2.8748598 7.836948 9.949518 7.605069 3.8324218 -3.1971512 -4.7162647 6.488121 12.916679 -7.526574 0.06047961 -3.0415335 4.0454264 -12.45058 -1.7949978 5.8703585 -4.5151286 -7.238263 4.1716413 1.0690348 2.1350968 9.711659 1.7797343 3.482579 -3.4359326 5.942751 0.37753022 11.5453205 -2.7691307 3.272009 6.76352 4.095509 -1.3874316 4.969049 12.255258 10.069295 4.685982 7.991399 3.697772 7.062531 12.831585 -1.3777895 -3.3740857 -6.753959 -9.492182 -0.58960974 5.177581 -1.4641309 2.574358 3.66249 0.9932924 5.5689483 -11.519835 -3.4379823 3.2233624 -5.6158457 -9.504044 -2.7702088 2.1581182 5.5445347 4.2962084 6.610371 6.223141 2.058398 -1.2847834 -1.7848029 5.4955034 1.2979963 0.34342232 -9.529977 -6.3454313 -4.775263 0.13754147 -5.833146 2.9327922 -3.1723614 -5.8475432 -1.1860609 2.061971 -4.223401 -6.4846463 1.2285569 2.3459322 -1.4977292 0.22045268 0.46403396 9.175477 -1.0514115 -8.661511 2.6565604 4.632817 -10.379388 0.06029851 -5.518733 -1.333126 -3.3143454 -7.1907425 -3.248244 1.0986372 3.7615545 -1.5483618 3.032573 -7.23743 -1.7623459 10.122196 15.351342 -2.0878067 -1.0023713 -0.496338 -2.2315729 -1.8553774 -12.137245 -8.500252 -10.178295 7.8972144 2.2583137 -8.8213825 -2.837038 -3.2920518 7.499248 0.572226 3.7570817 -4.895229 23.221622 -1.2731282 -1.1548433 -16.536686 -1.1184682 -3.6294508 5.5110717 12.915935

2-[(15S)-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-sn-glycero-3-phosphocholine is a 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (15S)-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl. It has a role as a human xenobiotic metabolite and a mouse metabolite.

5.994795 12.976938 3.6635303 -8.594748 2.7100477 -10.859194 -6.646602 4.6111145 -9.24472 8.068889 16.827614 -10.154965 4.262242 6.1534777 2.4030304 -6.6626644 3.419781 6.216977 -21.12706 5.564199 -5.330062 -7.96711 -2.1956463 -11.435007 -10.314286 7.5918684 2.4313846 16.62781 -7.7464247 -11.38178 -0.3913885 -7.598584 -6.0538073 6.544572 18.275517 10.968092 -1.401187 15.859394 -0.78527987 5.967958 -1.4869425 -9.499364 -4.105637 -4.393504 -14.278233 4.8382673 2.529515 1.4756995 -2.7688425 3.645073 13.4354105 4.103246 10.167675 4.2541275 7.3013816 -9.049775 -0.8908191 0.6954868 -2.4141524 -8.46556 1.0578351 -13.41463 3.452965 15.203676 3.0678203 3.2271771 4.276759 -2.3235238 7.777784 -10.233802 3.8839989 1.6280403 -9.100589 5.0484276 -1.857568 5.190326 -10.130719 10.524 4.659027 7.072467 -6.809207 0.19254182 1.139232 10.848901 1.7414185 -2.0587454 3.8400986 3.0983596 17.305252 -7.3408914 0.76399684 3.3195646 10.425507 -3.8777127 -4.462029 2.767645 4.2017307 0.3580603 4.0255384 6.1089816 8.521686 3.902861 -6.7362423 -2.8686326 -12.362471 5.203312 -1.3019817 -1.4004828 6.9557033 13.337236 -10.240704 -0.9616411 -15.813867 -5.2318544 4.7967763 6.0620522 -9.487126 7.9523363 8.501734 11.299066 19.132313 0.5412791 -3.6932585 2.173857 9.752904 -28.770235 17.178955 20.605492 -4.1887536 14.247584 13.445412 -7.845128 -8.353573 6.0073857 12.779271 -3.3381062 5.447382 1.2084386 20.061775 5.3103175 -5.9219303 1.4325726 3.1584673 6.6905384 17.08793 -20.612585 -2.5847363 16.544767 -11.948185 -0.21435955 2.77799 -0.8329954 -17.154205 3.1149344 -3.5011685 3.8500297 2.5454683 15.330267 21.741518 -3.9141243 -13.356971 9.435224 -5.550535 -8.655748 13.585216 -1.3735635 7.5534573 13.696136 -6.4329734 9.466236 5.9608836 16.082554 0.10833566 3.7018225 -3.1033304 1.5340114 22.941347 6.569508 -9.165319 -11.685533 1.4243062 3.5099025 -9.901989 -4.3922634 9.431217 4.383302 -6.4202633 0.31717724 5.107421 8.417391 7.433545 19.372309 0.98217607 -4.129402 2.9171112 4.864543 6.9786654 5.904241 5.2221622 3.0764592 -3.815476 0.26911178 3.9535017 1.7379403 7.922388 -3.5051987 0.7723341 -5.537172 5.9196186 1.5173733 -4.7953596 0.84420145 5.2534604 -9.832867 -0.80260557 -0.6797727 -0.39074948 -2.5795574 13.374186 -4.951264 -4.883235 10.3182745 -7.1437345 4.9435678 -20.781443 1.1316371 -11.133554 -0.4598876 -3.4223862 7.043818 7.8211412 6.1635656 -2.380567 -8.481098 6.33431 -1.6100898 13.877792 -4.1770177 -11.565417 -7.335552 -2.7961636 -0.86057425 4.26006 -7.28178 5.292526 5.661283 -3.7510076 -0.08647154 -3.7319136 12.243232 8.167998 5.241871 1.8129342 1.6641455 4.2238493 -5.4881716 10.355951 -6.2337313 -9.988139 -6.3421597 7.2070584 -7.522868 -2.5161169 -7.249626 10.264485 2.4989667 8.159229 -4.7900763 10.971263 -4.754455 -5.951306 -1.3973106 3.1070287 1.0160763 5.6238813 17.982897 -1.2909676 -3.648991 9.219624 -5.5072274 -5.1534176 2.9123485 -7.4406214 2.7096004 11.429062 6.218036 3.570047 -5.819642 8.4120865 5.957704 10.130106 4.203558 8.66196 -5.303788 7.1441956 -7.430044 -2.5949895 5.6589828 4.4719057 5.692095

1,3-dinitrobenzene is a dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups. It has a role as a neurotoxin.

1.6713355 6.683884 0.64586204 -2.2803383 1.1769423 -7.2698812 -5.4863176 3.1771374 -1.2627926 2.7897415 7.3465276 -4.6421895 0.6739207 1.6619407 1.2628099 -1.0637193 -2.4594488 0.09951162 -3.8475416 3.172012 -5.00198 -3.9641457 -0.45052573 -3.8778374 -3.0182552 -0.83615327 -0.9351615 2.645785 -1.900116 -2.726955 -3.1433342 -2.1880789 1.3936932 0.45945156 -0.35740423 4.056045 0.16317435 3.6844776 0.7051788 2.2646687 -2.6790376 -1.4635488 0.27752125 0.21653119 -0.2518231 1.2062762 5.437228 -2.7348297 -3.4045208 -0.6989812 6.1677155 -1.4111155 1.9388083 3.111868 0.37853074 -2.0135472 0.57356274 -1.8095889 -5.2931895 1.2030425 1.4426731 0.4625029 0.034465294 -1.3941168 1.2868232 2.8668842 2.6177263 2.203483 -0.11914012 0.6861734 0.752776 -2.2036948 1.3293121 2.0259094 -1.9694582 -4.012737 -1.3268688 2.9224658 6.903044 -0.099855274 0.29983157 -5.83741 -1.7655932 -0.4859049 1.2618881 -3.7599642 -0.848297 0.7179593 2.7849014 2.26361 -0.26125866 -1.9297928 -0.31774762 1.4175727 -1.30319 1.2653004 3.1035557 -3.2514775 -3.1681361 0.29189906 -2.163103 0.78978354 -1.8120055 -1.5158024 -2.2498035 -0.6945256 0.43701002 -4.8157883 4.1347036 -0.012609154 -5.907696 -2.0653467 -1.124594 0.34312794 1.2742618 -1.7352515 -3.7425237 -0.8636072 0.5339569 3.337222 3.337385 -0.95292884 -4.29448 -6.5061173 5.6448517 -2.0124872 3.3437736 4.0447707 -0.7680074 -0.049949795 -1.458913 -4.307131 -3.5927355 1.8416853 -0.30053917 2.8914597 1.1683111 -7.2365217 2.953751 1.1714721 2.9699292 -0.42037332 -0.7966238 3.318032 7.3646193 -1.833672 0.5555607 5.983532 -1.0755 0.12664914 4.249947 -2.960044 -4.0811596 -2.7929058 1.4989704 1.0798935 2.4487238 0.24716055 -0.6682286 -0.3266573 -2.5893734 0.38125497 -4.0852857 0.3085903 2.132846 -2.1626048 5.4141717 3.4396756 -5.0299315 -4.8550324 2.7717578 0.959265 3.954581 -4.445785 5.056041 -1.6053159 7.8901 2.273532 -3.3369086 1.7282441 2.4847865 0.21673138 -4.8020935 -2.1395125 0.08061865 2.0401669 -5.185965 2.6692522 -0.32747367 -0.702786 4.236665 2.2575903 -1.3771822 -2.5703692 -8.072367 -0.9108334 2.4248047 -0.7607543 -1.8522007 -0.7883032 -3.8212905 -5.3995156 2.977244 2.6733584 0.7360391 -0.501159 1.6562815 -1.7451854 3.183538 4.5140595 -2.7296603 4.3926244 -0.88610196 3.228224 1.7814717 -2.3989606 -0.60047364 -0.20727828 -1.2455174 -1.4563937 1.4714581 -3.2413373 -3.5650945 -3.065839 -1.3588481 -1.0996846 9.662891 -4.942778 1.5617845 -4.706969 -0.039464585 6.5333624 2.4298348 0.47134703 0.7572577 0.46415025 -4.669243 2.196663 2.560669 0.72269404 2.4152684 -4.155479 -3.100044 1.1111103 1.2263955 -1.4917879 4.9848595 0.6101004 -4.131949 3.2856312 -0.7456202 6.065881 5.8433013 -3.3645394 -5.603245 -3.0019777 3.4139566 -4.3343606 0.84283257 -6.0928435 2.0543854 -2.1440508 -0.09174073 2.490714 -3.3587246 -1.8962102 -1.2277046 2.3335109 2.245752 3.5173893 2.0930066 1.1127614 4.7464533 6.2236385 8.145191 -2.8033218 5.885707 1.363764 2.5572834 -0.5016705 -5.6248937 -3.8282132 -3.5549426 2.5063894 3.6230152 -1.737621 1.9932185 -1.1065407 1.2302272 -0.18531427 5.4667654 3.143873 2.4851885 -3.4269738 5.821543 0.34255412 -0.3179564 -0.788129 1.9299532 2.0540245

(R)-3-hydroxydecanoyl-CoA(4-) is a 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxydecanoyl-CoA. It is a (R)-3-hydroxyacyl-CoA(4-) and a 3-hydroxydecanoyl-CoA(4-). It is a conjugate base of a (R)-3-hydroxydecanoyl-CoA.

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Lividomycin B is a member of the class of lividomycins that is paromomycin in which the 2-amino-2-deoxyglucopyranosyl moiety is lacking the hydroxy group at position 3. It has a role as a metabolite. It derives from a paromomycin.

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Kaempferol 5-O-glucuronide is a kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 5-position. It has a role as a metabolite. It is a kaempferol O-glucuronide and a trihydroxyflavone.

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(R)-3-hydroxypalmitoyl-CoA(4-) is a 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxypalmitoyl-CoA. It is a (R)-3-hydroxyacyl-CoA(4-), a 3-hydroxy fatty acyl-CoA(4-) and an 11,12-saturated fatty acyl-CoA(4-). It is a conjugate base of a (R)-3-hydroxypalmitoyl-CoA.

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1-L-1,2-anhydro-myo-inositol is a conduritol epoxide resulting from the formal epoxidation of the double bond of (-)-conduritol B. It derives from a (-)-conduritol B. It is an enantiomer of a 1-D-1,2-anhydro-myo-inositol.

-1.2437558 2.896349 0.8782399 0.110638894 -0.057469524 -7.7161136 0.1752204 -1.4952703 5.0731874 0.9502765 -1.3404894 -2.0737422 -4.5604157 4.2193704 1.3651141 -0.1415036 2.5698304 -3.4481807 -10.143916 4.001098 -1.7934483 -6.507382 -4.928308 -1.3260574 -4.584896 2.0575066 0.76072603 1.4241657 1.8043623 -2.1260455 1.0468554 -0.46613324 2.2076783 3.6672473 7.953973 -0.80348873 -1.3256129 3.1051834 1.0156215 -0.118677035 -5.330461 0.79893285 -0.6735406 1.0487247 -1.5666496 -0.046741307 0.49126005 1.844708 -0.93770087 8.341682 3.2849312 -1.1968299 2.9958024 -0.6148563 6.132457 0.7629626 -1.7022841 3.849479 -0.87871295 0.19352008 2.3527467 -3.2300634 -0.035740018 2.7184308 -2.840935 0.36141503 1.049847 3.2109067 -1.4407794 -3.9358623 0.36790192 2.1640165 -2.835887 1.1812414 1.3549489 -2.0628788 -5.349667 4.0330906 -0.7586728 0.40572256 -3.4902327 -3.1445081 -1.6885091 0.82002956 0.7867684 -0.60094327 3.917433 0.096685424 1.8120356 -0.9722568 -0.19158465 -0.96715665 -0.74451655 1.2327603 -0.7051953 -1.8179703 3.2849689 1.5455084 -0.13687658 -2.3417296 3.5416934 -0.41089365 -5.690056 -0.062676996 4.67484 1.6511695 0.0816593 1.7854254 0.60246134 -0.02954992 -1.9644054 2.2947614 3.0488544 -1.1015084 5.643761 -4.685219 -1.6251485 2.2282376 4.9230504 2.402144 3.0111108 0.9896016 -4.8123555 -2.5716474 1.9631207 -7.0025535 6.139046 2.591732 -5.736464 3.1901906 -0.9290717 2.6550658 -4.3766847 4.6923957 9.499909 1.2788715 2.3704112 -1.7233753 5.208549 5.110233 -2.2208705 0.44944072 2.0897653 1.052428 7.0065565 -1.0795941 -3.5890949 4.923947 -4.780423 0.7960595 3.9669962 1.268754 -3.9443157 1.5326573 0.37065566 1.447742 7.592814 2.553681 5.817779 -2.7609248 -6.8424435 1.0670582 -2.440971 -0.35730642 0.96146464 -1.1052967 10.9969225 2.8337076 -3.607298 -0.86153823 2.4555523 3.6057687 3.3132565 -0.01730869 -1.4511604 1.3528879 3.7012384 4.574256 -0.8296208 1.3239357 -5.2606754 0.6170839 -4.9013596 -0.09007552 -0.09364696 -2.079324 2.8278732 -3.9920475 1.2571323 -1.3353406 2.7568536 2.0249965 0.9137847 2.1008084 0.049288824 3.192815 0.99147844 0.61989397 1.112834 0.3018648 1.2184693 -0.24007085 2.1068344 4.8865385 2.2815557 -0.7271484 -0.6054692 0.08308721 0.9657397 3.1023133 1.39986 -0.9145191 -3.3233156 -1.1671033 -2.4697068 3.3918233 -0.16462964 0.5506996 2.3186717 -3.1906528 -0.85326815 -2.564815 0.07463786 3.9290197 -1.1883409 -4.5579734 -3.8561769 -0.17080797 2.0233204 0.6052381 1.4859203 0.092741884 1.277864 2.9015281 -1.4278985 0.27976513 3.8248076 -0.081288695 -4.001786 -2.0907102 -2.3507023 -2.752098 -2.555365 0.12999997 4.07983 0.7673366 0.31576508 -2.4479594 -1.0465567 -2.1694977 2.4293418 1.4920769 -3.2627754 2.980131 3.9035954 4.302671 0.4636302 -5.569126 -2.9582708 2.2614043 -3.93471 -0.98737544 1.2670195 0.9388362 -0.07188077 -1.1350025 3.1423566 0.53485554 3.9925313 0.4185078 -0.18809615 0.23451334 0.61741924 0.79258627 6.375301 5.90509 0.693784 -2.4598885 1.4965526 1.9149903 0.040153284 -1.8830395 0.5864994 -0.07988143 3.2382922 -3.1791859 -3.4879932 -2.8580823 3.8425016 1.4427308 0.91185445 -2.1479282 7.0378604 -0.24386814 0.62036973 -5.785875 0.5434936 -2.335208 2.8513768 1.2744243

O-(15-carboxypentadecanoyl)carnitine is an O-acylcarnitine having 15-carboxypentadecanoyl as the acyl substituent. It has a role as a metabolite. It derives from a hexadecanedioic acid.

0.9510251 3.117009 1.1370871 -7.8020754 2.744163 -8.340097 -1.8777673 5.5136805 -5.3644013 3.0937116 5.667266 -9.531456 0.97944915 -0.6020112 -1.8192129 -5.6957836 -2.3738337 3.9936614 -12.593278 1.3095679 -5.7813897 -7.0076632 -0.3719756 -12.005335 -3.41459 8.425269 0.6973135 10.824273 -5.4532714 -8.980752 -1.006941 -7.665611 -0.8128551 6.2131963 6.345692 7.4626827 -5.2968407 16.993305 -0.14859265 10.982399 -5.205681 -7.141624 -1.8090392 -2.0753024 -13.54695 0.7693789 -0.51560676 1.9244162 -1.2158883 5.45132 8.735635 2.5073128 7.6793423 4.4701424 7.6732554 -6.6440797 2.8204572 -1.3924195 -0.4728262 -4.037933 -0.45223117 -11.290676 2.75505 11.204922 2.3438013 2.3306813 1.2656331 -0.30885953 5.05194 -4.022053 0.59392875 2.2172804 -6.5842776 6.1273026 -2.5776052 -0.023189232 -5.115488 4.1435323 1.4747276 5.0101476 -6.7721353 -3.6165204 -1.6728158 6.786103 3.4140635 -1.7781407 2.9904263 5.4241986 10.3428755 -3.862846 -0.7118711 6.200794 6.131703 0.344912 -1.2736378 0.62421346 3.5604923 -0.430292 3.5895894 5.7517633 5.452736 2.6322 -4.4646497 -2.559012 -12.163792 3.6624398 -0.5108302 -2.5355647 4.7039533 10.882477 -6.548614 3.8159196 -10.752021 -1.3648403 2.7922585 3.1940258 0.7266104 4.7383146 4.711872 8.570244 12.035061 1.3212103 -7.080463 -1.1898414 2.5048769 -18.218582 10.5258255 14.404717 0.55889237 6.6419306 11.678437 -7.371496 -5.3084693 3.6783054 6.7889934 -0.3385312 4.055282 2.2353973 17.574408 -0.038587324 -7.798125 1.8741779 0.61196816 6.083186 13.885414 -16.222569 -3.3844628 10.9126 -8.159303 1.4972062 4.2668443 -0.8201248 -12.087037 2.2386353 -5.2689066 5.347293 6.9501286 10.8449135 16.98005 -1.0772464 -11.908138 5.588144 -5.4342275 -9.4825735 7.0472407 -2.8834438 6.8043027 11.597182 -4.31698 8.538678 5.8672237 10.06881 0.3183539 4.3356586 -1.1140229 -0.4658481 17.818089 5.922723 -12.537618 -14.141521 4.7147484 0.46865916 -6.9440722 -1.7366211 8.238695 4.558625 -8.31314 3.4001017 4.518561 10.089382 9.170626 15.922644 -1.3481145 -2.534647 -2.365207 0.705821 2.4329686 9.016351 5.3997483 0.39969146 -9.689025 -1.3346195 3.671214 3.814196 2.8356187 -6.223416 2.9918401 0.65298146 3.2372448 2.9593682 -4.254814 -0.14862564 3.416091 -8.289213 1.0520849 -0.6876389 -8.451326 -1.4047058 10.831613 -2.6111789 -2.7747762 7.9301257 -7.032089 5.2082324 -18.372114 0.35204673 -4.9861093 2.717328 -6.4156947 6.661102 3.9912312 4.0951324 -7.690325 -7.22937 3.8941574 2.0074186 12.976359 -0.2731946 -6.1465244 1.0694704 -0.6420567 -1.0210898 2.3401022 -2.8109326 3.882192 0.32386845 1.2309418 -0.36683336 -4.683578 5.210523 7.0140605 2.454813 -2.4717057 1.8282804 0.455876 -1.685396 8.333404 -6.459827 -5.6345816 -5.713342 3.8707595 -8.633121 0.72713137 -5.134409 6.8676395 1.7580905 1.2350786 -7.3417077 8.243435 -4.0928845 -7.485114 -1.6983471 6.4594913 7.20432 3.3456957 9.893601 -3.6549463 -4.9960604 3.2119253 -7.2695637 -6.491219 -0.95434034 -2.3156898 -2.4426396 7.754873 3.7641146 4.0311527 -2.1788623 5.749108 2.151118 13.002634 3.531374 6.8550982 -2.6448524 3.3942735 -11.036249 2.979766 2.3760839 7.57266 6.9062314

(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoic acid. It is a member of n-3 PUFA and by-product of alpha-linolenic acid metabolism. It is an unsaturated fatty acyl-CoA, a long-chain fatty acyl-CoA and a timnodonoyl bioconjugate. It is a conjugate acid of a (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4-).

8.5697155 27.068583 5.110582 -9.445589 4.8297877 -27.424255 -8.399902 13.616948 -3.7625043 19.562166 26.72675 -17.312304 3.477648 11.608833 8.518178 -9.964658 13.291463 4.69705 -41.530853 16.620333 -17.652952 -16.643402 -17.413645 -20.78615 -20.73002 10.547178 5.6082864 26.350855 -9.974798 -17.660038 0.15680975 -4.417817 -0.437384 17.817333 31.11393 13.360849 4.963909 24.33016 0.88156366 6.480154 -9.006337 -7.010026 -7.363893 -8.818444 -24.734566 2.8288455 7.7109866 1.3904692 -5.1224666 12.71585 26.683317 4.82849 18.104685 15.5399685 19.465244 -9.313599 0.019874096 0.8486266 -7.856358 -16.708387 5.2681413 -19.080376 9.693756 25.848997 -2.9255726 -0.1783455 7.6850796 1.8871694 9.315553 -6.459114 4.965324 5.2030897 -22.866034 9.290043 -0.5277325 6.789282 -19.9711 16.742584 9.697304 8.033211 -10.002665 -7.124672 2.2372522 18.780298 3.7294211 -2.7285893 9.752516 4.4680657 23.831713 -18.320484 -2.4570038 -0.120723516 15.155746 0.48636886 -8.714845 -1.671955 12.894791 -1.1014061 6.8055444 5.97067 13.071336 9.054677 -15.824464 -2.0896902 -7.136755 2.7744112 0.89718544 0.97794235 11.617604 26.936558 -21.047333 -3.8285053 -21.17836 -7.7715683 11.930835 0.16797796 -11.244813 9.23392 18.242651 19.983763 28.628714 -1.703716 -19.065626 1.0628598 20.619898 -37.26298 35.766113 25.859219 -9.602787 30.416794 20.071438 -6.0301356 -20.816555 20.541187 33.275723 -3.7869132 10.974034 -0.38874644 34.21829 21.015327 -2.6818013 -5.605906 8.332277 19.43293 32.895966 -33.812363 -9.719487 33.54586 -30.07191 2.224689 14.421773 -2.076348 -31.934269 5.9514804 -9.557908 6.7476063 17.481628 26.830147 34.67646 -15.367822 -21.84562 6.6673875 -22.278389 -12.496019 17.050444 -9.007309 29.787699 20.25496 -17.241623 1.762992 5.770985 16.438295 11.894523 -2.7097008 2.2221637 -3.4070144 32.673206 10.138879 -6.499582 -5.2252293 1.1388786 0.4179721 -9.282693 -2.516355 21.592163 2.7448223 -5.086986 -6.658003 6.0207543 3.244327 16.098476 18.78133 5.134898 -6.5501437 -1.3365728 13.530465 8.703689 -0.750456 2.5471613 0.9314071 -5.735551 -8.007503 13.699176 13.912443 6.7142577 -0.69195515 2.753511 -9.524523 14.321 9.35594 1.1066678 8.006831 7.6037927 -4.421989 5.14931 8.606066 -2.1030247 1.3308692 16.32387 -5.4007893 -7.164698 0.1425566 -13.078151 10.400055 -28.657038 -4.814794 -13.625322 -0.95044345 -1.888044 1.9892502 5.3327794 13.226991 -6.4872537 -9.950835 1.8804036 2.5422428 25.51156 -6.79835 -11.053822 -11.736856 3.0833852 -0.7821104 -0.07625005 -6.8918567 10.126404 2.5877366 -1.5763364 -7.9983335 -6.866451 10.793162 21.73875 9.954469 4.14246 2.1795938 2.389223 2.804513 12.824253 -21.016031 -14.005201 -8.084861 1.3027918 -12.437942 -9.119209 -5.938272 7.485817 -2.2047687 15.7802 -0.46053153 16.015142 -8.11131 -4.827669 4.4400234 11.575197 -0.9191402 18.343752 17.354528 -3.4647865 -9.710779 7.5259347 -2.1464531 -4.3308735 1.0060159 -10.9652195 4.058632 17.629217 -1.6665542 1.1072036 -11.644853 14.52486 1.750671 15.920496 -3.2686734 18.364647 -6.43677 6.7446833 -15.907741 -0.64794517 9.489239 5.849863 7.32446

1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate is a 1-phosphatidyl-1D-myo-inositol 5-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and oleoyl respectively. It derives from an oleic acid and an octadecanoic acid. It is a conjugate acid of a 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3-).

6.2197366 18.660452 5.2550683 -12.164856 3.9269311 -22.724775 -2.9950848 12.445229 -2.049242 9.399653 12.897441 -16.828686 -1.351091 0.7603432 -0.9575118 -7.190701 3.6580803 8.747395 -31.749556 7.5988746 -14.319103 -14.051025 -5.828109 -24.564295 -12.7866535 14.327705 1.6168516 20.654823 -10.620714 -12.633535 1.8039712 -7.9090576 -0.949396 15.512878 25.016094 10.4527025 -8.305946 30.24754 -3.030063 11.041239 -11.434071 -12.859889 -5.5561934 -8.733379 -23.837103 0.96519196 -3.1921744 8.727184 -3.2162564 19.7123 21.05169 5.8816075 16.374235 11.225122 19.111994 -14.548112 -0.00090521574 1.2867975 -5.040734 -9.418861 0.3611879 -24.637644 4.789055 30.072737 6.615743 2.7809181 1.0214813 -0.7852868 9.994611 -6.796743 0.48077393 1.2508976 -17.868576 15.100696 -2.739675 0.3223458 -13.84872 18.597294 3.7243676 5.554786 -15.237839 -7.919483 -1.680874 13.57187 3.7565267 -0.78326136 14.036234 8.407759 27.813818 -15.124559 3.9958963 9.154325 12.597845 -1.6178547 -1.8703345 -3.4742148 13.376653 -1.7033359 13.945979 10.748759 17.27663 10.532221 -17.859756 -3.071171 -13.482725 8.501282 4.2532754 1.9217966 9.284872 20.97032 -14.321416 10.06898 -14.677253 -2.7953663 9.672586 -3.7878273 -6.863081 8.70614 17.688984 19.731575 27.649696 7.1450357 -22.112541 -2.234006 11.123637 -37.588932 23.929201 26.864988 -4.1550965 20.184805 22.249958 -9.208332 -14.657397 16.731184 28.235754 -3.322805 14.504649 3.6433918 33.345123 9.273693 -14.427707 2.0640402 0.8670598 10.509416 33.076786 -33.08267 -12.415956 30.658752 -24.096308 4.659873 14.023789 2.672015 -22.063095 5.415317 -10.259543 11.663811 23.262283 27.073265 39.175797 -6.7121687 -28.328056 6.4310665 -18.954342 -12.976039 16.582226 -1.7360812 28.210623 20.47234 -17.302979 12.31603 15.345865 24.016731 2.4921343 1.0392071 -5.81247 -1.4729846 33.514313 14.203329 -20.449816 -20.621904 -3.2048945 3.2693782 -13.975459 2.2112432 15.744801 6.6911554 0.4504185 -3.210402 10.498552 13.337734 7.978157 29.513712 -0.021686345 -0.9747238 -0.8284879 7.2668376 6.237005 12.879193 5.7664933 3.3890488 -15.018137 -3.4269998 12.295436 13.419341 8.670607 -10.339691 0.92884094 1.7094724 3.781804 10.121943 -6.416805 -1.5896946 5.49918 -17.034204 -2.0592825 1.5652504 -13.404976 -1.3117344 24.082521 -9.082719 -10.4787855 8.168741 -10.865054 15.084907 -35.06323 -2.7846444 -14.956218 2.4278142 -9.33625 12.638162 3.7987092 7.8034 -10.306798 -7.9145575 -0.4485002 1.420684 30.031797 -2.3932009 -14.801508 -2.6229353 -3.6631558 -4.588875 5.386623 -6.0727916 12.309738 5.6531186 1.788485 -8.129381 -5.99505 12.691645 13.225962 -1.3190327 -5.0159144 5.4251037 7.396672 0.45316425 10.1378565 -23.791025 -15.103515 -3.5654624 -0.40976042 -13.021677 0.238641 -8.75476 14.692095 -2.748476 5.5311456 -10.780708 16.960665 -8.757264 -9.682426 -3.7974086 5.353841 -0.39378163 11.370339 30.998444 -10.035983 -17.264046 16.5584 -4.392284 -4.836434 -5.55128 -8.969601 -4.9498053 20.302069 2.0038378 3.114609 -9.136613 15.324812 9.828985 16.191084 -1.4847214 19.912834 -2.7466218 9.170002 -19.360134 6.3964357 -0.98160434 12.466094 12.4373865

2,6-dimethylheptanoyl-CoA is a medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2,6-dimethylheptanoic acid. It is a multi-methyl-branched fatty acyl-CoA and a medium-chain fatty acyl-CoA. It is a conjugate acid of a 2,6-dimethylheptanoyl-CoA(4-).

5.3219304 20.280485 3.076563 -7.9711733 5.263989 -26.559666 -2.2024465 14.833061 5.652724 12.543946 14.305823 -17.366196 -1.6702002 9.723962 5.2168136 -7.8363976 6.5893044 -2.874469 -33.444817 15.381292 -21.971031 -18.181263 -20.159792 -16.910143 -17.306616 5.9736004 4.629885 19.711103 -7.6645455 -14.642653 0.8322573 -0.34467673 1.9038371 17.478796 21.304058 8.448267 2.9024496 17.61349 -1.5125293 3.6559868 -11.661903 0.78314763 -5.6005287 -8.630956 -20.882706 -0.9657543 7.658677 1.128458 -1.3094816 12.073561 20.601088 -1.0370362 11.378711 11.301136 18.202295 -5.170696 3.7243404 -0.7263657 -8.361424 -14.036197 2.9629655 -14.175272 13.464595 19.075256 -6.318511 0.15526652 7.525549 3.2898939 4.6992865 4.0848784 -0.36307818 9.756932 -23.246784 8.38166 -1.6400912 2.047561 -19.28492 10.324984 5.9057055 8.465255 -9.092553 -7.3605947 -1.8695681 10.6327305 2.5131903 -4.7249713 12.936518 6.328746 18.930468 -10.680329 -5.3642583 -2.452038 6.241993 3.7437823 -6.4479265 1.8036687 13.3087435 -1.0712634 4.536283 3.5010757 9.898941 8.776397 -11.960027 -1.848759 -0.3701823 -3.0338736 -0.88208944 0.5087735 5.4108334 22.67807 -18.543556 -6.527507 -13.271129 -2.401873 13.297135 -4.036568 -2.2720232 3.420938 13.324948 15.044523 16.808455 0.60849553 -25.540695 0.7242914 10.033074 -22.029324 30.539343 16.849346 -4.580651 18.97117 16.010162 0.71823335 -19.722448 19.868042 26.39888 -0.5374398 6.915295 1.7148621 29.445745 15.654024 -3.3469815 -5.802888 3.486814 17.144266 27.450466 -24.873451 -7.443831 25.471598 -24.148458 3.788262 14.76846 -1.1236398 -25.828823 6.0163374 -6.500578 3.6359096 19.48553 21.071695 23.814474 -12.348082 -13.911612 1.1895033 -22.232216 -11.6329975 6.6387095 -11.618975 31.548405 12.048506 -16.322556 -3.2211223 5.275955 13.56509 11.639345 -5.2014923 -0.03099902 -8.79935 25.00787 12.191975 -5.16406 -7.719757 2.6968834 -2.4522476 -6.8101544 -0.545276 16.406317 2.7837243 -2.2259202 -2.855204 3.280846 0.99401414 16.263405 13.234268 3.19134 -6.8561263 -4.3375015 6.358701 3.6480112 -2.6794598 -2.3660884 -1.804464 -7.838828 -9.488267 12.877826 17.65531 1.8821983 2.8288205 3.945398 -3.273865 12.884174 13.914019 5.3031816 2.7979279 -1.8458382 3.6953738 0.15460128 13.220095 -6.1714783 9.316819 12.9121685 -1.2656349 -4.578133 -9.55327 -8.443672 8.348506 -18.832075 -10.247695 -6.7217646 3.4366796 -0.19592142 -0.0014714748 0.7964339 13.59459 -8.686002 -5.8878055 1.5870605 1.6093711 17.6035 -4.042715 -3.3584824 -5.6989555 4.174741 2.0964725 -0.26155135 -5.1374097 12.442555 -2.176055 0.12919004 -9.419247 -5.077949 -2.387801 14.842282 8.052865 5.0178924 1.5789008 -3.2968469 7.857209 4.1370087 -19.948727 -4.8109984 -0.04485999 -2.9378946 -8.680909 -5.2278695 -1.2572181 7.246503 -2.1018496 9.338591 3.3765407 9.04763 -6.971524 0.74184793 3.4263341 11.608386 -2.191673 24.143225 4.8895636 -1.7806505 -11.911838 -0.26373062 0.9445266 -0.21980795 -5.7692695 -8.047263 2.1960025 13.922971 -10.220676 -1.4634284 -6.0419273 9.89299 -5.159247 15.895738 -3.4549825 16.17767 -8.913754 -0.16389085 -20.464727 -3.5759842 7.9038258 6.27282 7.5497313

Orthoperiodate(1-) is a monovalent inorganic anion obtained by deprotonation of one of the six OH groups in orthoperiodic acid acid. It is an orthoperiodate ion and a monovalent inorganic anion. It is a conjugate base of an orthoperiodic acid. It is a conjugate acid of an orthoperiodate(2-).

1.4021738 3.404541 0.2497752 -0.069758385 -2.84803 -2.1341534 -0.08579805 0.21905142 -0.13457873 2.6583562 3.5688407 -2.0005698 0.21751338 1.623428 1.0694177 -1.9509677 0.2632888 -0.23091438 -3.1570055 1.8550941 -2.043079 -1.7286577 -2.977792 0.10681862 -3.074363 1.8149631 -1.1554753 0.73242974 -0.078574926 -1.1519998 -1.3544475 -0.18916062 1.6989354 2.4084218 2.7090466 0.69774 -0.8696615 -0.12905577 0.89511585 1.2650784 -1.7076755 -1.7691993 0.30248246 0.2999544 -0.45376176 2.8578036 1.6987242 -1.2967825 -3.0736878 -1.8445319 2.7653055 -1.0797426 1.5687586 2.2271497 1.9698641 2.6007466 -0.1096195 0.79914063 -1.4151875 -0.73008287 2.2148476 -2.5114021 0.4336126 0.8846507 0.22832581 0.017967068 0.9102172 0.8281057 -1.7088128 -0.43412918 1.7342192 0.19445314 -2.6797097 -1.126296 -0.75212145 -1.0153911 0.62768584 -0.15196675 1.1031703 0.17349347 -0.19169357 -2.3768759 -1.2384456 1.0583625 -0.44014367 -1.1667897 1.13958 1.7288288 1.6866843 0.50672555 0.11909703 -0.9535084 -0.4869905 -0.94698924 -1.0693055 1.5783536 2.4669425 -0.7016092 -0.333558 0.7311265 3.2278564 -0.827778 -2.545296 -0.54065853 0.37582275 -0.54417104 0.018500347 2.9248338 1.2791283 1.2219303 -1.7312306 0.9716655 1.0619965 -0.78493196 1.7799003 0.49948466 -1.9444972 -2.5692782 1.5556642 1.060044 1.683928 -0.9019881 -2.9744847 -0.037476253 -0.29763252 -0.26731825 0.9368275 1.2234209 -0.3550132 1.3371563 -1.0538551 -0.11416864 -1.609831 -0.956192 2.7525434 0.16272917 3.1058717 -0.32793716 3.361722 -0.7648225 -0.21182562 0.8916153 1.6890357 1.3957787 2.2788596 -1.8642879 -2.055673 3.149443 0.22452763 -0.18524861 0.07245022 -0.55570644 -2.657693 -0.4517633 0.09129208 0.96015143 2.2171755 1.7250054 -0.16046703 0.8787614 0.3836038 0.9834106 -1.8289442 0.85660696 0.7875805 -1.645067 4.142289 0.7373495 -0.32951695 -0.08383665 0.39643744 0.6506681 0.89431465 -1.368053 0.5165755 -0.13152191 2.7246778 1.4544257 1.5152984 0.77814096 -1.7065458 -0.108075306 -1.8841276 -1.3448007 -0.43398583 -0.16541779 -1.036467 0.8335689 1.8115497 -0.43687436 1.8620579 3.3075871 0.3777607 -0.23046775 -1.5027133 2.188258 2.0885797 -1.5520881 0.80963975 -0.44868773 -0.5308578 -0.12917344 2.2754426 1.9604007 0.2241655 -1.1893697 0.44821784 0.034078635 1.8825488 1.1390653 0.3475353 2.3878179 0.3240944 0.6869775 1.8544562 -0.8046573 -0.77780557 1.3649794 1.773656 1.1048573 1.1472807 -2.4706774 0.5042219 1.4824632 -1.4868237 -2.1013286 1.0603284 -2.2328188 0.10902056 -0.34500504 -0.13498226 1.0544074 0.7193288 0.92110384 1.3604751 -0.65089726 -0.5389086 -0.31524205 0.5008564 -1.3619735 0.6414566 -1.8170612 -1.7705818 0.98243505 0.2196219 -0.2510829 0.2466187 0.64335275 -0.61115235 0.81808734 0.7601478 0.9755008 1.2023576 3.4890332 0.95293474 -0.22929619 0.3215423 -1.1873907 0.11006075 -0.53802454 0.22071427 -0.2629889 -0.6118567 0.9440234 0.36178672 -1.0756747 2.0347078 0.5899828 2.3934915 -0.08486634 0.08487869 2.3972688 0.73974645 1.0023869 1.8940995 1.0939444 2.252 0.70678544 -0.15220088 0.017049685 0.992187 -0.8894187 -2.0054915 -0.31146073 2.9714513 -1.5417941 -1.896773 0.74367726 0.111460015 1.5650454 3.0936997 -0.85162294 1.6390088 -1.9816104 0.77832735 -1.2969648 -0.797158 1.6282752 4.078685 -1.109971

Nonadecanoyl-CoA(4-) is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of nonadecanoyl-CoA. It is a saturated fatty acyl-CoA(4-) and a long-chain fatty acyl-CoA(4-). It is a conjugate base of a nonadecanoyl-CoA.

9.678944 20.63816 7.4810147 -12.1718 8.692868 -25.270596 -5.5165243 20.033636 1.5071877 14.8791 19.529829 -18.756012 -1.2374468 4.250839 3.8017902 -13.695067 2.83184 3.4567578 -34.90313 9.796946 -24.586788 -19.660645 -17.567593 -25.033314 -17.361528 13.714049 4.0463142 21.303564 -12.157949 -17.754633 -0.364038 -5.86923 2.0607746 18.6953 21.969639 11.48351 -0.48631352 28.74065 -2.036279 10.514666 -15.441094 -7.8686376 -3.723235 -9.129999 -23.568674 0.7537075 5.8639007 1.7964101 -4.2256813 11.316892 26.5181 1.4018674 17.307426 14.187478 21.323437 -11.190126 4.451866 -3.8127947 -8.325719 -13.306163 4.1620545 -19.243158 9.042273 21.105595 2.8652403 -0.6753187 6.0976477 0.27393845 7.068857 0.23640147 -0.27908373 4.802803 -21.35844 11.586659 -3.2727838 2.316408 -17.537828 10.457598 6.345094 5.8886156 -12.990055 -12.29431 -1.0981688 11.765288 3.9013317 -2.167748 15.186649 10.647413 23.194538 -12.299338 -1.9280493 5.1502824 10.164833 1.6368117 -6.909249 -0.6419382 15.924066 -1.89445 9.966295 9.8875 13.254403 12.36643 -13.334084 -1.1291091 -9.814427 1.2488776 3.0359886 -0.87990355 10.826054 27.637775 -21.016472 0.7904375 -16.607738 -3.2395988 16.163843 -0.386044 -3.0729413 1.9879656 18.02872 19.111052 27.317877 0.044664904 -30.041239 -1.1155832 13.718896 -32.546467 31.554829 22.037123 0.34855592 23.982132 20.781464 -6.1148114 -18.811258 20.421537 27.806463 0.11456403 12.225242 2.016123 34.28226 13.402092 -5.699783 -4.9171443 4.306466 19.43243 33.614494 -31.79524 -8.181875 33.472317 -26.977163 3.8475795 17.220161 1.5328834 -25.761162 3.2543972 -10.023492 7.569989 21.418285 27.184103 31.700613 -9.967337 -19.358698 4.166468 -24.382912 -15.972855 14.869971 -10.401223 29.23012 18.386898 -20.88476 4.5923123 10.0641775 17.917902 9.089041 -6.662376 -0.33080906 -7.605002 32.041092 12.614821 -8.468591 -15.746442 2.660201 0.76732427 -9.643165 -2.262061 16.502764 3.847179 -4.2542286 -2.453827 7.4658237 6.6794505 15.370883 21.52865 -0.9931986 -2.9751256 -8.65032 5.1050763 2.0780654 2.0762138 1.1158721 -0.52506375 -14.670346 -11.802703 13.256036 19.57463 3.6980662 -2.6451516 3.4012065 -2.278707 12.581145 13.287633 -1.4061961 1.8556113 4.313608 -3.6205306 -0.7204951 9.378934 -10.096533 6.0478086 18.954542 -2.9143345 -4.9932566 -4.250998 -12.595234 9.942349 -29.261738 -8.950966 -6.9884553 -0.7514416 -4.2142954 3.7644112 -2.4848785 13.961945 -10.06978 -9.709248 1.9180245 2.4062452 26.361115 -4.075407 -3.9297395 -2.415443 6.8424196 -3.1503766 1.3712577 -8.816043 14.808763 1.8450661 6.128974 -8.061401 -6.0596275 4.521545 17.466629 6.0739784 4.8489127 1.3052256 -1.6339625 6.0734224 8.596611 -24.447605 -10.267662 -8.015796 0.113400646 -11.893748 -2.8039072 -6.809796 11.2683525 -4.4595737 5.156823 -2.2307284 15.313654 -8.154396 -4.572572 3.128805 15.490359 1.3379823 21.265162 12.628095 -3.8872159 -16.451054 6.200138 -0.07351817 -1.2140582 -8.708649 -11.520243 -2.1274574 19.491926 -5.2182255 0.97230744 -7.8235474 11.970295 -0.43244436 22.721842 2.955408 18.099825 -5.4901075 7.010628 -21.61324 1.6974612 8.468307 9.130634 11.571734

Naringin chalcone is a disaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 6' and a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy group at position 4' respectively. It is a member of chalcones, a member of resorcinols and a disaccharide derivative. It derives from a trans-chalcone.

-2.376847 9.174948 2.3840427 -5.1068864 1.3570397 -23.94075 -3.464225 1.7617933 6.154647 4.5020084 8.002491 -11.255075 -4.486116 14.627132 10.5793 -1.8427261 8.71004 -5.7427554 -29.430191 13.6396265 -8.166137 -17.021852 -6.4273486 -11.381118 -6.6706376 1.2572123 2.9832 13.034358 -1.6913538 -6.802148 1.005637 -2.3863842 5.1670456 9.734651 15.419484 3.2827983 -0.56204814 9.655193 2.2871132 -0.57191133 -10.901007 3.8255434 -1.7896763 -5.4794197 -0.43926874 -1.6314558 5.7108274 1.1905239 0.55500394 20.912521 11.447974 -0.90201354 8.415454 2.0920005 9.53033 2.0898724 -10.031514 4.6425056 -4.1048584 -1.4350117 -0.08892462 -6.328978 -1.4137677 5.201828 -5.0186605 -0.15941854 3.146669 4.1231575 -1.74692 -4.377164 4.031782 3.6671946 -9.555881 5.0127015 -2.9348066 -9.549038 -20.245697 17.074806 6.5739484 9.393672 -5.0933948 -9.160025 -3.856702 1.9515926 4.289265 -3.553791 4.2410884 -1.3939912 13.168412 -6.2304544 -2.3242562 -6.7474327 -0.35249874 2.7171059 0.42482027 -3.8992915 7.719417 2.6637487 -6.4229054 -2.5575848 8.573208 -7.06331 -16.00553 -1.6823592 11.154691 5.7928553 -1.4116085 -3.698071 3.2295003 1.6753923 -8.449629 2.169701 -0.08564308 -3.8647418 17.29448 -11.153063 -1.2096977 4.8172326 9.379466 11.744478 10.785191 1.2243509 -11.670676 -5.6696515 11.6669655 -21.963247 16.091501 11.436321 -13.701044 6.750355 1.560088 2.1308792 -16.888138 10.541734 23.752779 8.9941845 1.9697392 -8.07542 14.425632 16.437819 -8.411483 0.19423026 1.5762653 5.8933535 25.192007 -13.166935 -8.361589 12.359303 -14.5095825 2.78572 14.376214 -0.32779595 -18.53912 5.30642 -3.188923 6.642429 17.192371 7.520939 14.597009 -11.295543 -15.717168 2.0453413 -5.3114367 -3.0424156 11.913412 -3.4277213 30.752962 10.611618 -10.037479 -5.0662184 5.33429 11.615415 11.044866 -2.2698522 -0.8612076 -0.32452363 12.473887 8.119414 -6.433531 1.6706778 -3.319376 -1.0322185 -16.78732 -3.3227897 3.6790457 -5.433025 -4.5200033 -4.7757154 -0.53551733 0.520154 10.962943 3.8135824 3.3457189 5.250378 -4.115724 5.3547215 7.2841825 -1.594582 1.3078197 0.37789476 2.8901806 -8.088897 6.6792736 12.348313 2.5583978 -2.111559 -3.2737691 -1.9787656 5.742285 7.388168 0.33116004 3.7217813 -4.3418903 -4.1563487 0.25074664 6.584913 -2.4686706 2.3479822 2.8877034 -8.466332 0.39347202 -6.67349 -6.8511767 5.5624623 -8.582192 -6.907012 -2.590994 0.68572 5.3647175 -0.38436246 4.5665283 10.963014 4.807164 -1.5024352 -6.481247 -0.6264736 5.539309 -0.42047006 -11.144372 -7.72819 -3.0048032 -5.3700776 -3.6999283 -1.3751285 8.254064 1.4213289 1.852826 -5.4036584 -4.1437225 0.40453556 3.9417565 9.288817 -3.6726778 5.5974803 1.6999276 5.5878606 3.1825624 -15.516718 -4.333461 -1.7271787 -6.8737926 -9.123877 -3.9141545 1.3833811 -5.959011 -1.9739411 6.567302 4.529283 7.932218 2.38482 3.0465302 -3.072004 0.6042882 9.65709 16.692749 8.320814 2.4546494 1.0779289 7.056207 4.097762 -7.514858 -7.2791257 -2.5305984 5.987472 10.909897 -9.803791 -0.8512516 -4.4397044 14.59378 4.91096 2.7147207 -2.9899337 17.384266 -2.289865 4.23645 -14.379102 1.5024376 -5.3071055 8.237859 5.9732285

Galactarate(1-) is a dicarboxylic acid monoanion that is the conjugate base of galactaric acid. It has a role as a human metabolite. It is a galactaric acid anion and a dicarboxylic acid monoanion. It is a conjugate base of a galactaric acid. It is a conjugate acid of a galactarate(2-).

-0.38863567 5.9264812 0.8775313 -3.1488183 -4.471474 -8.67353 -2.4440167 1.5631886 -1.3983996 0.53753054 4.4971976 -5.7879777 -1.1994312 1.190327 -1.1132902 -0.08169758 -1.9235435 -1.0039364 -8.554694 3.5895636 -6.3179936 -6.382979 -1.8259971 -4.8840327 -3.1892302 2.6096172 2.2582936 2.8210094 -1.8178345 -5.640022 -0.31053263 -4.4010262 -0.4992527 3.761784 3.5260184 4.090902 -1.3165258 3.1202295 -2.1805997 5.970233 -4.2817655 -0.1867429 -1.3692658 -1.0057819 -2.7240565 2.077484 0.14833532 2.0171905 -3.229423 3.7115712 5.290674 1.801362 0.7052883 2.258668 4.0763245 1.136878 1.9448549 2.7340405 -0.9597883 -0.91749316 -0.16760576 -4.3425193 3.168415 3.805047 -2.0587153 1.0236379 4.005817 0.64184916 -1.3924686 0.52718735 2.7327394 5.0439515 -3.6669626 -0.358697 -3.887646 -1.3144863 -3.7525609 -0.31321567 0.27836454 3.9162085 -3.5039656 -4.474504 -0.30743915 1.6694762 1.7843888 -5.203866 0.8884236 4.337859 3.7808666 1.4589052 -0.8126546 -3.1092732 -0.9448865 2.4628909 0.35112232 4.141064 0.8025254 -0.052011356 -3.85236 0.42749107 3.777787 -0.4726201 -3.8919318 -4.597326 0.2684295 -3.5613341 -4.2909617 3.59346 -0.88868433 0.28821546 -1.042399 -4.4489646 -2.549721 0.09802478 2.5749774 -1.2098019 -1.0708703 2.3654382 2.8212311 2.670311 1.8368299 1.0433124 -4.948125 -1.3048366 0.8765773 -1.9509256 4.491694 7.318661 -2.477017 -0.1055316 3.3111353 2.6739388 -4.751811 1.9436333 5.361835 -0.97708553 -1.113656 -1.4603118 7.9369283 -0.86910534 -1.9560001 -0.6465386 -0.35957366 4.278535 6.6618114 -6.6396165 -0.64524144 1.7529389 0.6445347 0.486618 0.32236478 0.042205736 -6.328567 0.54150105 2.8266978 1.8598584 5.2276444 2.5260742 3.1483727 -0.8669321 -4.405511 1.1601765 -0.34725487 -3.535159 1.0313611 -2.0350275 7.178061 -0.057078477 -1.701435 1.6274345 -1.0010393 4.5079937 2.0155447 -1.2504964 -2.1942978 0.6351853 7.558392 6.2042522 -2.5914207 -6.833518 0.4928778 -1.5595946 -6.3541403 2.148882 1.4907168 -0.11387256 -1.7842987 -0.16227591 3.5248678 2.6648424 3.6269298 5.0601845 2.4530904 -1.8303638 -0.18835735 1.987945 2.6836765 1.5102988 -0.74724233 -2.635477 -2.2430825 2.2576103 2.2320728 2.073079 2.3640625 -0.6893062 0.72935116 0.7338032 3.852912 1.2817465 4.089595 -1.4669063 -0.7061054 2.2295854 1.3403653 2.0597854 -4.0798893 -0.57672065 3.6329238 -1.1095945 -1.2213056 1.2946903 -0.8936691 2.8459344 -5.865672 -0.8148283 -1.9354943 2.730756 -4.027763 3.726145 0.6660061 3.6764376 -2.2143373 0.22828017 3.073257 -3.7444017 1.3257247 -0.95348173 -2.6656644 -2.1938968 0.1882756 0.1387409 0.60050476 -0.6717872 5.1411715 -0.9192642 -2.1661694 -0.14706388 -2.1131067 1.4358184 4.62075 2.6335146 -1.3537059 4.827853 -1.2023807 -0.44188756 2.6448982 -2.046059 0.4659124 2.6007812 2.346894 -3.2952495 -0.30363223 -1.2685634 -0.8905144 1.8104779 3.0691545 0.09470935 4.5793777 -4.322603 1.8416016 -0.6544073 -1.6819078 2.5603526 6.415574 4.096208 -0.0506981 -3.0549548 -1.3342389 -0.36941803 -1.3579577 -0.013534337 0.18005931 1.6251733 6.7095637 -1.0026462 -1.573188 0.9412826 3.6165397 1.9722437 5.257488 -1.1292037 5.4809585 -6.757788 -2.3122852 -5.3126926 -3.148646 0.5184356 5.202158 1.8444822

(S)-2-hydroxyhexadecanoic acid is the S-enantiomer of 2-hydroxypalmitic acid. It is a 2-hydroxyhexadecanoic acid and a (2S)-2-hydroxy monocarboxylic acid. It is a conjugate acid of a (S)-2-hydroxyhexadecanoate. It is an enantiomer of a (R)-2-hydroxyhexadecanoic acid.

1.428752 2.9569216 0.34932613 -5.065619 1.0349398 -4.4925823 -1.0971451 4.828536 -4.239629 2.3630512 3.600687 -7.739194 0.91333306 -2.5313253 -1.8040698 -2.8171113 -1.7084484 3.2584684 -7.544024 0.17958431 -5.046234 -4.260456 0.13438809 -10.376969 -2.0450194 5.617001 0.9152846 5.414472 -4.5928206 -4.118571 0.7119843 -3.7743871 -0.15560035 4.950114 4.5231853 5.1490545 -4.0630255 9.9888 -1.8735074 6.718827 -2.3711333 -6.223544 -0.44490093 -1.4989843 -7.576395 0.1790357 -2.1198573 2.5975933 -0.7788238 5.5803475 5.1377497 3.2481012 3.6219773 4.671443 3.875679 -4.56352 1.5520505 -0.58264405 1.0321987 -2.2794821 -1.8394809 -8.675029 1.8679999 9.7485895 3.8989768 1.1964653 0.11034335 -0.9839234 1.6485217 -1.0467675 0.36644572 -1.0269227 -3.5925374 4.2365727 -1.8284755 -0.09252674 -0.6482436 3.9330122 0.9027083 1.2389387 -5.7409406 -1.8572938 0.6226281 5.284157 2.007771 -1.7926273 2.254718 2.70478 9.22531 -3.5064783 2.1631126 4.1623106 3.4956224 -0.3465956 0.97082055 0.14813791 0.65369505 -0.5973447 2.5886235 5.5416245 4.250881 3.7064314 -4.2545753 -1.6322984 -5.753287 3.677445 -0.21407913 2.6812038 1.9987634 6.4107485 -3.611763 3.3952858 -5.6172543 -0.9802704 0.8020047 -1.4736173 -0.5973844 3.69788 4.86812 7.507985 7.8557997 3.6257348 -6.081581 -1.0869387 2.1429594 -9.3931465 5.4135494 8.444331 0.26428407 3.3646176 8.97275 -4.0666375 -3.843317 3.3158765 5.7301445 -1.5831516 2.8881207 2.0799787 11.159132 -1.2633874 -5.3917046 1.1925175 0.16483921 4.399582 8.98817 -11.675467 -4.2035093 7.3124294 -5.2069955 1.708074 2.0257869 -0.640663 -5.6495028 2.6732507 -3.1795547 2.815988 5.7905574 7.559429 10.129524 0.14037204 -7.2940874 1.8104846 -4.0297985 -5.6713634 5.072145 0.53837967 5.8160133 6.538504 -3.565804 4.8447204 2.4404788 7.6427193 -0.62530667 0.62897545 -2.2021563 -0.7332266 11.211733 5.0883965 -10.048986 -11.018092 1.5503913 0.09858596 -5.006125 1.7177861 6.1841803 3.8230662 -2.1277637 0.13693425 4.7444344 7.0071816 2.5435972 9.6745205 -1.8999244 -1.2848988 -0.5214658 1.3542743 0.726469 5.2191954 3.5977378 0.43595386 -5.400257 -0.26362947 2.464579 2.6647508 0.96858513 -5.9057035 0.9128722 0.3971553 0.9955717 1.3233222 -1.9603267 -0.78069913 3.6982052 -6.171005 1.0361576 -0.6144995 -6.653464 -1.7590431 6.8076916 -3.3096662 -3.1343193 4.5897827 -4.0321007 4.0838747 -13.865466 1.3857718 -4.433073 1.1801336 -5.3668327 6.151596 0.08630872 2.085047 -4.4293175 -3.079732 0.83504486 -0.066815995 7.5995445 0.41757444 -3.5682914 0.590411 -1.2586254 -2.136229 2.5848331 -1.1459961 3.0884972 1.793969 1.631183 -2.5066097 -3.8689704 4.8521214 4.9737334 -0.300527 -1.5790662 2.8915024 0.17284045 -2.3232584 4.6064262 -5.734667 -4.630658 -2.3032548 0.93726426 -4.603151 -0.83253294 -3.481475 3.5395796 0.28924513 1.6932533 -5.158892 6.1751676 -2.9283147 -3.1078587 -3.1137204 0.47459045 2.3460763 1.4912753 7.4200788 -3.5950172 -3.2796197 4.842219 -3.4000654 -4.6989465 -1.0298599 -1.6927309 -1.1797719 7.2068152 2.2818353 1.0831176 -0.30423552 4.99961 4.2914147 6.817957 0.90009964 5.054025 -1.2348452 1.4384801 -6.607836 3.896791 -0.92286366 4.1628513 3.9870088

Pectolinarigenin is a dimethoxyflavone that is the 6,4'-dimethyl ether derivative of scutellarein. It has a role as a plant metabolite. It is a dimethoxyflavone and a dihydroxyflavone. It derives from a scutellarein.

-3.775157 2.6998675 -1.616519 -2.1253183 0.2100599 -7.5854516 -6.8478684 1.837415 -0.36778295 0.94917536 9.373862 -9.693514 0.009203479 14.479661 7.6265798 -0.8344357 5.148765 0.17309895 -12.896216 6.446946 -3.7395744 -4.599226 1.2808806 -5.589301 1.2529849 -1.4307811 -2.5006776 8.881329 -3.3651755 -2.5631964 0.69526446 -1.1542952 5.219188 4.559424 0.9107213 4.9541054 0.30303702 1.9530196 2.3190408 -2.0402403 -0.52245283 3.0397112 -2.339125 -7.889553 3.3576105 -4.395434 9.252386 -5.911649 2.8136144 7.011454 7.060817 -1.3142152 3.324524 4.596161 -1.2588072 1.99564 -6.1153064 -5.247264 -5.019877 -1.8243487 -3.5638268 -2.9795113 -3.5486605 2.384082 0.07205212 -1.6668087 1.166163 2.0202246 -0.5390921 5.464482 3.3296564 -1.9247394 -0.6765809 2.1402762 -2.931067 -3.8075469 -8.589135 11.771425 7.773395 8.297325 0.056519195 -5.575526 0.38235855 -0.2687013 1.1739866 -1.1134005 -1.5335221 -3.4828026 11.159054 -4.052832 -2.446625 -7.2889605 0.55703115 -0.34915626 3.406436 1.240442 1.9818513 0.41392913 -3.4542499 -0.010006711 -1.271153 -7.9032884 -7.4027777 -2.7130406 4.8164015 3.0321062 0.20056422 -6.6816473 2.6190975 0.097051 -5.18569 -2.26318 -4.110028 -0.8213146 8.013521 -3.4889014 1.4237717 -1.5498183 2.8583894 6.055412 4.5706677 0.49515465 -4.516977 -2.5882251 8.568422 -7.320248 5.732157 5.3087144 -6.078031 2.0324228 3.4238372 2.1387255 -8.197732 1.9009103 10.23177 5.8206167 -2.2453747 -3.4190664 2.8177726 8.059533 -3.645115 -2.8923545 -2.5854754 5.383686 11.309648 -6.396454 -1.0406566 0.66631514 -6.2969255 0.53083867 9.528058 -3.5199518 -14.791677 3.3023114 -4.8175654 3.0443184 5.764754 1.0353682 0.8510183 -8.608347 -3.8530982 0.88793474 -2.102574 -3.3545206 11.975428 -4.2854686 11.692431 6.764527 -3.6034057 -4.2081738 1.6988729 2.8634596 5.9874 -2.4527266 2.2445557 -1.7318997 5.2716713 1.0248804 -4.863808 2.516548 5.173963 -1.7060393 -8.514548 -3.620217 3.981771 -2.744475 -7.269685 4.1714993 -0.12616849 1.35496 4.835207 -2.1218765 0.85162103 -0.29475826 -6.8097053 -1.420362 3.16481 -2.637423 -1.6734589 -1.8286477 1.6323031 -8.339269 1.7735258 3.3242497 -0.25732002 -0.08184394 -1.691316 -1.4991274 5.207196 2.6265228 -3.6236572 6.24571 0.6175444 0.24941199 4.044442 2.3938038 -1.3701108 6.6139593 -1.1279669 -3.9228628 2.8166738 -9.762926 -6.057324 -2.6295996 -6.533001 -1.2023753 9.296733 -3.470016 2.3212366 -5.4782224 4.313005 10.598828 1.9180253 -3.2150428 -4.063666 -0.26595283 -2.2866008 0.67306924 -0.80590105 -2.4668152 0.40765384 -6.598871 -5.19278 -1.0586573 1.7198526 -2.2155178 5.1385355 -0.7808061 -3.2526371 1.63093 -0.42199454 5.6318254 6.0787005 -0.2677665 -4.116674 -0.8135384 2.6569903 -6.0253067 1.5236546 -7.1672983 -0.969573 -5.4008017 -5.6301765 5.3839846 -7.4533415 -0.20163324 -2.463601 1.0415517 0.6751897 5.8253374 4.914587 -3.9900682 0.11994834 10.678008 10.7935295 -2.3666184 5.6881337 5.6413555 3.2212644 -1.2661997 -10.256221 -7.747945 -7.371779 8.11195 6.2465634 -4.583738 4.4697094 -0.1399969 7.4371457 1.277485 0.6886638 1.0685428 8.397644 -2.9888902 3.106473 -3.8122828 0.8934944 -1.7251376 1.9871984 5.6518817

Beta-D-GlcNAc-(1->3)-[beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-D-Glc-ol is a tetrasaccharide derivative consisting of D-glucitol having an N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl group attached at the 4-position. It is a tetrasaccharide derivative and a glucosamine oligosaccharide. It derives from a D-glucitol.

-6.690314 13.6012 7.4372053 -4.6897364 -1.7447429 -31.839138 0.6738195 0.23797733 14.143819 6.1449046 3.2743657 -10.618621 -13.846747 7.9805655 5.467383 -2.9422886 5.691332 -13.593621 -37.96647 17.711775 -12.057966 -24.472965 -16.310627 -10.446493 -13.001051 4.534393 5.92035 10.450962 1.316436 -13.467329 5.095232 -6.733614 1.9687176 14.42432 25.457958 4.4465914 -8.501468 17.326145 1.4594963 1.9894525 -15.585511 4.698045 -3.770679 -0.28949618 -6.988504 -0.042484306 -1.1749249 12.591926 -2.7802916 32.955414 13.65007 -2.8848662 15.06769 3.691121 22.915953 -0.48708218 -1.4015737 16.062128 -5.8963294 -5.7135134 5.645693 -13.785779 6.884099 10.976 -10.407731 1.1548231 10.259161 4.587237 -2.0338888 -9.099664 1.7466292 10.150824 -17.087955 5.802599 -3.706869 -7.8451357 -25.327982 16.346895 -0.7723335 5.548795 -17.434565 -11.887247 -7.2923136 6.1419597 10.423479 -7.4770417 14.706748 6.9230356 17.653471 -4.0402756 -2.8385096 -3.103906 -0.2549034 7.2976093 -1.095833 -1.7728432 11.404058 5.4363613 -2.2737033 -4.0607452 16.248396 -0.33032733 -20.853645 -4.962101 10.768594 1.7272809 -5.780317 5.9132276 2.1917627 8.1429615 -11.758092 3.7545428 0.70939845 -3.4333575 21.73423 -14.237324 -8.492907 10.276539 15.033537 13.393208 13.662307 7.1148176 -19.246008 -4.4444504 10.111843 -27.480808 25.862288 17.038633 -18.525743 12.416728 2.7565832 9.434975 -20.485298 24.788029 32.271664 3.6627991 4.227989 -4.682792 30.148478 17.796902 -13.172477 -1.2481363 4.905677 9.632157 35.511875 -17.583885 -10.126952 25.333097 -18.404493 3.2735245 11.956222 5.71208 -19.300959 8.377527 2.0659032 8.241836 26.743973 16.99888 31.869078 -7.821902 -28.349796 0.4259992 -13.527976 -4.5717983 9.585571 -3.1885965 41.92479 10.463242 -15.3211 4.490826 10.846388 19.063328 12.998579 -4.7975097 -6.8636947 0.7796844 26.03976 23.94131 -8.022789 -9.240045 -15.052335 1.300162 -17.067947 3.9760084 4.2481775 -3.938746 4.1774344 -9.911554 7.8235426 1.5828862 12.33894 10.285854 3.8592496 6.5124555 2.611589 10.924087 4.530441 3.6584353 3.3899493 2.0845566 -0.03691548 -0.5926169 9.754325 19.46006 9.666863 -2.5359406 -3.9332683 0.38921732 0.19480622 10.163725 6.4582953 -5.3020287 -10.052525 -3.9713397 -8.160916 14.400834 -6.183305 0.80748403 10.887843 -9.161816 -3.3445077 1.3381307 -1.7875031 15.6130705 -9.949803 -11.844913 -15.1166 7.6516304 1.75183 11.154497 0.49610132 4.2114964 0.81794375 1.5170279 0.13982725 -1.1071634 15.24072 0.16041921 -22.851027 -9.990253 -3.4037383 -2.175005 0.9502955 -6.8069882 16.754164 4.2670693 -1.0499351 -10.924693 -5.493716 -0.1822175 8.15084 6.5806293 -6.691413 10.135638 8.6068325 8.175398 2.132724 -20.848467 -9.245675 6.8276567 -6.9652133 -10.734869 3.883644 -2.5878513 3.841907 -4.2623696 11.284832 8.019203 17.188137 -7.1529827 2.5594816 0.24071202 -1.4264398 0.7914914 25.251923 24.193562 -3.9444616 -12.17404 11.020136 9.520397 -1.2486271 -1.7187133 4.390863 1.9015074 19.12282 -12.364636 -9.121245 -3.2461853 19.825348 5.801419 10.908002 -10.073349 28.647903 -8.708188 5.1725974 -26.179962 -7.1627 -4.386419 13.828968 7.7980466

9,12,13-trihydroxyoctadec-10-enoic acid is a TriHOME that is octadec-10-enoic acid in which the three hydroxy substituents are located at positions 9, 12 and 13. It has a role as a plant metabolite. It is a TriHOME and a long-chain fatty acid.

1.3582429 7.4303546 0.08487162 -6.4524717 -0.8843042 -7.194055 -3.9164326 4.833413 -5.5342937 2.8708715 4.916578 -9.058656 0.12825823 0.86751556 -0.13034874 -3.0829394 0.053123407 2.1841547 -11.282476 2.4988055 -6.3340364 -5.5215335 -1.0814348 -10.74316 -3.948156 6.5725455 2.8950212 8.063564 -5.808206 -6.5762167 0.55181414 -4.5942664 -1.2841425 6.9403663 7.605948 6.529591 -2.9182062 9.180609 -3.867536 6.1221414 -2.505053 -5.716485 -0.44695902 -1.2078598 -9.567901 0.9563051 -1.8739829 3.2698293 -1.8198693 6.634144 6.171473 3.4605618 4.8250566 5.414551 3.8882432 -3.8417401 2.0966294 0.9944569 0.37513593 -4.33676 -0.7737535 -10.700629 3.3903444 10.218619 2.559218 0.24297294 1.9509032 -0.8327918 1.3913224 -2.4851713 2.4007955 1.7969311 -5.3846517 3.7140968 -2.955373 1.2881738 -3.3286366 4.928433 1.7341099 2.2472508 -6.2870283 -2.3544261 1.7686636 6.2459965 2.180575 -3.7410214 1.8972948 2.4513931 10.269922 -3.868332 1.6033763 1.9375031 3.9244652 -0.72888684 1.740219 2.4978342 -0.4050788 -0.04936534 0.6375284 4.053906 5.217682 2.391807 -5.6569557 -3.8819485 -4.1727123 3.0893078 -2.8952477 4.2753344 1.7000043 6.5868897 -5.3707023 0.70191747 -8.256061 -2.4457576 0.95328915 -1.7115358 -3.681948 4.9160285 5.1039524 8.976743 8.735255 4.0441008 -5.573958 0.83174264 3.4064052 -10.243323 7.154111 10.481419 -3.3293622 3.5593505 9.325366 -2.8663547 -4.087583 2.0427473 6.89129 -4.3930907 1.5345517 1.5768962 13.2164135 -1.0245302 -4.357224 0.88837844 1.4544034 6.318225 9.069422 -13.119068 -3.769568 6.774071 -5.6843305 1.5079284 1.1850395 -1.7313471 -9.1273985 3.8743088 -2.4518266 1.4135524 4.5996614 9.338519 11.660755 -1.2858742 -8.445212 3.5027943 -2.4194236 -6.458627 5.452364 0.6748998 7.1020846 5.0927124 -3.0130417 5.585997 0.91226196 9.984734 -0.7307646 -0.35871047 -3.6153457 0.4270178 12.55779 6.6060514 -8.653135 -11.666926 0.56982875 0.06559731 -8.02937 2.2257228 7.064142 4.1533365 -2.7690687 -0.90424424 5.83886 7.969325 3.849104 10.565943 -1.4746861 -2.7170992 1.1001569 2.9512668 2.9747243 4.6045566 3.9039755 -0.38477883 -2.9421282 0.9643028 2.6254423 2.4314218 3.2268584 -4.8003497 0.0032292195 -1.5862334 3.216629 0.26067895 0.29748142 0.15941007 3.782623 -6.389655 0.8498038 0.091064095 -4.725791 -2.5583649 7.0507555 -3.9652047 -2.7379127 4.2548933 -2.7728333 5.052872 -14.242214 1.7102585 -5.834886 2.6386466 -5.7016144 7.4080462 0.7279108 1.5231564 -3.169018 -3.6471567 3.5241377 -2.9735007 7.6986823 -0.47850984 -6.0693865 -2.687775 -1.8539562 -2.4562624 2.6027153 -3.2725499 5.792805 2.6865687 -1.5698848 -2.956735 -4.7505713 5.3666425 6.925578 0.8500232 -0.8853809 4.986125 1.1625762 -4.041889 6.9971128 -3.4178376 -6.0798593 -2.0597048 3.4490783 -4.8346357 -1.7949353 -3.4082966 3.7892106 2.6927662 4.4694705 -3.966721 6.8302164 -4.036352 -1.7277796 -2.8310695 -0.9229544 1.3304263 3.6668503 9.773597 -2.5851455 -1.9062146 4.980857 -2.718507 -5.3463206 1.8930581 -0.105845705 1.0739585 8.840617 2.6683228 -1.3590068 -0.38809133 7.3342724 4.488949 6.5533805 1.2425328 7.0856843 -4.232359 0.14229102 -7.211419 1.8646625 0.13023356 3.9067392 3.4999225

Alpha-D-mannose 6-phosphate(2-) is dianion of alpha-D-mannose 6-phosphate; major species at pH 7.3. It has a role as a fundamental metabolite. It is a conjugate base of an alpha-D-mannose 6-phosphate.

1.6492398 5.98254 2.8181052 0.07898733 0.5377086 -11.34002 1.0665672 1.9870872 6.341937 2.9340975 1.6882195 -3.6545713 -4.553314 4.107818 1.8067629 -2.3010361 1.8978307 -2.93205 -12.089568 5.408076 -4.691329 -8.388707 -6.7188005 -2.5549982 -6.4077044 2.0890594 0.5006812 2.906209 -0.28638554 -3.648593 -0.54682934 -0.7022143 1.8549476 4.4173856 9.129431 0.7510494 -1.1366634 5.1418796 0.48124033 0.08504688 -7.119402 1.7909155 -1.2573965 -0.72696745 -2.8099704 2.0425172 1.6755552 1.5085051 -1.750074 6.7695785 6.096754 -1.9919038 5.489569 1.197907 8.341234 -0.74929684 -1.9278679 2.5579684 -3.6994972 -1.6158895 3.4857202 -4.1340837 0.8236179 3.3185437 -1.4375678 0.4673779 2.2251024 1.9848827 0.34159002 -4.352413 0.9612694 2.9463332 -5.204544 2.1068354 0.65129995 -2.0978699 -8.340606 4.8962755 -0.29049325 0.56372553 -2.8417637 -5.2372255 -2.8101912 -0.38845938 0.57732224 -0.4655752 6.62305 2.428329 3.7555676 -1.0860778 -1.0210366 -0.51482207 0.5143282 0.17130886 -2.0506568 -0.7094322 7.226251 0.8624514 1.3787161 -1.5426246 5.1526346 1.0963377 -6.936598 -0.6621461 2.5056832 0.39545792 0.6372003 0.34288776 2.9717774 2.6837652 -4.9281216 1.4786495 1.9197301 -0.658929 8.320172 -2.8327086 -2.0028987 -0.2006411 5.8939943 3.121939 6.6244726 0.11359231 -9.2255 -1.5344517 2.6286492 -9.192002 8.031635 5.3627415 -4.5736423 5.0033135 0.70004135 2.2885044 -5.739456 6.729323 11.078179 2.1897943 5.7347455 -1.559314 7.613521 6.0572677 -1.8611435 0.15824878 1.2102977 2.5112455 10.900669 -3.5164006 -2.7387085 8.866974 -5.792201 1.3818175 5.752034 2.1984327 -6.6768355 -0.5051554 0.26604554 3.8098273 8.868005 5.5343704 8.619434 -2.1803246 -7.604524 2.120967 -5.2318964 -1.0005417 2.7524116 -3.0341935 13.047254 2.9184148 -6.538268 -0.28254315 4.9315214 6.5004563 4.5025673 -1.9106381 -1.562192 0.17513168 6.892982 5.3301005 2.425936 0.12547992 -5.198152 1.5367671 -5.2054677 -1.3800756 0.17978966 -2.270334 2.837508 -4.1916695 1.5833151 -0.87410724 3.1577103 4.622528 1.4882419 2.804534 -1.3824633 3.4900858 1.6600447 0.21188672 -1.7512863 0.09752198 -2.405741 -1.6512988 3.8724284 6.6792502 3.3722851 1.0859488 -0.7817593 0.77924097 2.2971435 5.5286527 1.1836181 -1.0194918 -4.14296 -0.8684653 -3.4398878 2.8190992 -0.49818125 1.5216789 4.9226136 -2.4635289 -2.2047372 -2.5107105 -0.8738129 4.80213 -1.9247177 -6.580318 -3.6848166 -0.13425179 1.7913636 0.18039954 0.11819552 2.632686 1.2951598 1.9349144 -1.3974797 -0.5443392 6.7907915 -1.7834988 -4.4488964 -2.761202 -1.2174774 -1.2594242 -1.3121724 -1.2607112 6.082584 1.1283292 0.2934866 -2.2025855 0.24561298 -1.3094803 1.8228574 1.3337091 -2.3991652 2.2722611 3.1507206 5.027204 -0.62914073 -7.699863 -3.294273 1.4342307 -2.7883165 -1.6979444 1.8331087 -0.21261448 1.9009917 -2.0533512 2.7537866 1.0150206 3.66394 -0.63143206 0.6399808 2.1103442 2.5055227 -1.8892854 8.051616 7.5783095 0.71552765 -6.049035 2.758942 3.4999819 2.7828493 -3.6783211 -1.7298962 -0.8273955 4.5023427 -5.301002 -1.6352139 -3.521173 4.5471387 1.4775954 2.9324234 -1.9930553 7.365278 -1.27042 2.2005038 -5.6329503 -2.448256 -0.056313902 4.022423 3.2137706

Trans-2-decenedioyl-CoA is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of trans-2-decenedioic acid. It is a conjugate acid of a trans-2-decenedioyl-CoA(5-).

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1-hydroxymidazolam beta-D-glucuronide is a beta-D-glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen has been replaced by a 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl group. It is the glucuronidated conjugate of the midazolam metabolite, 1-hydroxymidazolam. It has a role as a drug metabolite, a human urinary metabolite and a human blood serum metabolite. It is a beta-D-glucosiduronic acid, a monosaccharide derivative, an imidazobenzodiazepine, a member of monofluorobenzenes and an organochlorine compound. It derives from a 1-hydroxymidazolam.

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Deoxycylindrospermopsin is a triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer). A non-toxic analogue of the cyanotoxins cylindrospermopsin and 7-epi-cylindrospermopsin (the latter two have a hydroxy group attached to the carbon adjacent to the uracil ring), it is produced by several species of freshwater cyanobacteria, such as Cylindrospermopsis raciborskii. It has a role as a protein synthesis inhibitor. It is an alkaloid, a member of cylindrospermopsins, an organic sulfate, a pyrimidone and a triazaacenaphthylene. It is a tautomer of a deoxycylindrospermopsin zwitterion.

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10-formyltetrahydrofolic acid is a form of tetrahydrofolate that acts as a donor of formyl groups in anabolism. In these reactions 10-formyltetrahydrofolic acid is used as a substrate in formyltransferase reactions, which is important in purine biosynthesis. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a 10-formyltetrahydrofolate(2-).

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