CIDs
int64 1
147M
| ChEBI descriptions
stringlengths 88
1.46k
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206,530 | Esoxybutynin is a 4-(diethylamino)but-2-yn-1-ol yhat has S configuration. In contrast to the (R)- enantiomer, esoxybutynin exhibits essentially no anticholinergic activity. It has a role as a muscarinic antagonist, a local anaesthetic and a calcium channel blocker. It is an enantiomer of a (R)-oxybutynin. | 5.4360394 6.1800494 0.3658179 -1.982755 -2.0971725 -1.2437618 -8.523604 2.06953 -7.413741 9.608923 5.748289 -3.163666 3.5234141 2.545741 -0.4470504 -3.0109048 7.948441 1.8219497 -8.333486 4.66003 -3.3337069 1.0479932 -3.5619886 -7.603059 -4.6250486 1.25029 -0.7885413 10.766496 -2.9147325 -8.028261 0.23717365 0.31775782 -2.9866602 6.155823 5.817746 0.37680382 2.302264 7.09966 0.15678896 1.2392255 -5.725667 0.14821425 5.492924 -3.0928733 -4.0021734 -1.7034191 5.1383743 -3.656752 -4.037095 1.3386451 9.204163 0.3720128 3.561301 2.2535734 -1.1405343 1.3603408 2.1605031 -0.89523125 -3.784092 -1.2285175 1.3608711 -6.7171745 -0.3545711 10.44847 2.8826995 3.3886454 -0.33261308 -2.6166663 1.8388821 2.1868668 -1.6723377 2.368215 -4.5869446 2.8483655 -2.0144906 -0.48836 -0.22783701 7.4455776 5.3745294 4.955458 -0.73031706 -0.31331825 0.99127597 7.783002 0.33076352 -4.8365407 5.611363 -0.09587528 12.886664 -2.5367405 0.8929936 -4.246855 -1.946573 2.3617737 -1.4622891 4.1844587 -0.91617304 -1.9939487 -0.39554054 3.9420767 0.93110347 -2.662285 -4.173539 0.08133236 -2.4731777 3.983399 -0.9863712 -2.2817035 -2.245967 8.341404 -4.233225 -1.3394051 -4.807157 -3.9250245 4.7972226 -0.7426691 -0.30092648 4.670859 1.8838316 5.653582 2.8880873 -1.4165268 -3.771997 -2.4575903 6.621363 -9.717975 7.822674 5.4721084 2.8265626 7.885059 8.253052 -3.4245055 -10.205307 6.5802774 7.111751 3.1768322 1.805759 -0.32894617 4.27583 2.4746208 -4.754957 2.0950594 2.03022 2.7990608 6.2628145 -8.496771 -4.7666636 7.0752745 -4.710249 3.851197 2.6801777 -5.873073 -6.590703 4.28631 -0.95587474 -0.53822106 1.0870202 3.9881306 5.9935303 -2.5608137 -4.047258 -0.1581372 -8.656347 -3.3874195 -0.7634343 -2.5706174 11.156554 7.9479785 -3.1181161 -1.3276808 -0.32436314 2.6125112 5.5844817 0.8124514 2.1281137 -4.4057326 6.4652457 3.6185048 -10.830165 -2.0168867 5.5895624 2.2733037 -4.6958117 0.5865022 4.6495023 1.692152 -4.545809 4.0773654 -2.3643034 2.4567306 7.32002 3.9712903 1.081727 -2.4375286 -0.6418185 0.74133223 3.6565819 1.0582308 2.476294 3.0637994 2.1623597 -5.6732154 2.506545 4.178196 2.2579224 0.729897 1.4094026 -0.28168374 1.7283522 5.8213964 -1.0558995 4.7886963 3.7271342 -0.6754914 6.1221814 2.986852 -4.2227025 -0.79330665 3.0124817 0.5187434 3.5462997 -5.1044407 -4.7187457 -1.9840486 -8.412697 -1.1614408 0.85323346 -0.40847683 0.37181765 1.0494349 0.5974053 5.6896205 2.3662846 -2.113262 0.4879009 5.212817 1.5151324 0.4734873 -1.2341492 -3.0389562 -0.31016028 -2.6061594 -0.8320771 0.29741535 -4.6302104 -1.6498901 4.4493127 -0.0038368846 -6.861514 2.0613966 3.9163418 4.7600427 7.1452103 0.63247734 -3.0123456 1.2923139 4.8912573 -5.399071 -1.0781765 -5.024567 -1.8556004 2.5120976 -5.78162 -3.301734 -1.1662947 -2.7990465 0.22455433 -2.5115545 5.7845945 4.3137646 0.12668064 -3.060843 2.5452852 8.005449 11.266318 -4.796566 -4.2938457 1.8532019 -0.94945157 -5.2075443 -8.980018 -7.791255 -7.606862 2.1654608 3.35851 -0.98024654 2.5922127 -6.726343 4.192787 2.980953 4.4101095 4.0528483 8.669243 -2.1989095 3.1584523 -9.074375 2.0352294 4.176911 1.883025 5.986959 |
91,634 | Azocyclotin is a member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a tricyclohexylstannyl group. It is an organotin acaricide and a member of triazoles. | 9.015212 6.0685616 -1.9765519 -2.4131036 -4.9027267 4.2251806 -5.5747137 3.2389064 -5.005899 5.184716 5.9403963 -4.4887495 0.0121232495 6.039119 -1.1374543 1.4180027 7.237293 0.041013833 -2.4366364 5.767897 -7.6740174 3.3347602 -11.246456 -0.69802195 -8.003701 2.2664726 -0.3951679 12.503549 2.179533 -4.70967 3.6402674 4.47066 0.44977817 5.2303433 11.375977 -6.4527783 3.5537872 -0.5985967 2.9981143 -2.5623543 -9.852453 0.8080175 11.685856 1.2641292 -2.1605756 0.59987754 6.102466 -4.940397 -7.1274114 0.75093925 7.612455 -0.46000332 -0.7963668 -1.1547792 0.57494974 7.177071 0.9237713 3.169536 -4.3317904 0.09291904 6.408801 -6.7138047 -1.4798319 7.696175 -0.92455316 2.971112 -1.0969092 1.7928141 4.372175 -2.9424732 -5.165736 3.1216772 0.46567267 -3.196746 1.6891305 -2.080135 -0.061764486 13.178146 3.4625053 5.021484 -6.423819 -3.3463683 1.1871824 9.686541 5.0483174 -7.648256 4.382567 -7.1698885 15.277885 -8.001558 1.8370324 -7.4368305 -2.9184737 2.6343133 -4.0330763 8.279667 -4.2876253 -4.1014833 -5.267618 0.67524743 0.9727466 -8.4461775 -7.818006 -0.33516663 6.5427094 1.3660979 -5.636302 -3.6784642 -6.978224 8.391871 -2.719892 1.7109207 5.6307554 1.1911062 7.3267164 -4.8413067 1.1665574 -0.7019342 8.828646 7.4578466 -2.410615 1.4534036 -6.334643 -1.2176088 5.4951 -7.2047415 8.712953 3.2892876 2.3047824 6.6780405 4.206364 3.2166133 -14.870468 7.735196 9.901543 1.4453058 6.511324 -1.2520804 5.189651 5.625657 2.379551 2.3554168 3.880987 6.490357 1.1950531 -2.821204 -8.108126 12.930161 -1.4306695 3.8008668 -1.7989892 1.0798388 -4.31644 1.715057 -0.06629526 -2.5085208 4.05174 2.9943266 3.6470237 -4.960726 -2.9340684 -2.1095216 -11.601171 -2.6723826 -9.440348 -11.087859 12.4579 4.7923093 0.48598507 -2.3240867 -7.425581 -4.2619157 4.9230237 -2.5216553 -0.6283795 -0.7386105 -6.2067075 1.0247238 -3.1179066 2.4108188 3.0834227 1.6451541 -3.466116 2.6089625 6.021453 -0.82168984 2.0337372 -1.3111353 -4.3317246 1.7656662 9.908261 6.5186844 6.7289267 -5.918756 -2.3843942 2.5624936 0.5671209 -2.9117746 2.385827 3.9185584 9.735668 -0.22529854 5.1547084 6.5577908 4.9860673 6.8728266 1.7033219 -0.6632185 -1.3840332 10.838989 3.2147412 -1.692922 -0.2676883 3.1679075 7.645576 2.8009942 0.489016 -6.1389046 -2.653325 5.633037 10.18414 -10.133664 -2.759099 -6.4724956 -0.014825085 -3.8186707 -3.7572117 -5.132407 -1.8916788 3.597094 -7.699696 -2.897131 5.2675753 2.9351132 1.7870779 5.3882804 -1.014107 4.3503537 3.3168507 -4.1227303 -4.960081 -9.15524 -8.27853 3.012728 -8.130095 0.41542238 4.9363437 2.2641745 -7.5812917 -4.1235204 4.813113 2.5282514 10.785869 3.1692374 -1.8238364 9.460875 3.009547 -7.576813 -2.7071931 -6.2233176 -9.369153 6.304894 -4.8430386 1.9423348 -7.132294 -6.019388 -2.7447684 -5.0382247 8.928469 7.1619687 -3.005846 1.0847323 -2.0000925 3.680576 9.563462 -9.4977665 -4.652808 -5.2543564 -5.3001637 -8.24694 -4.8897533 -8.220538 -4.338137 1.7333306 1.5833523 -10.075794 -7.399278 -7.1589494 3.0317504 2.870693 1.5974808 -0.18871343 4.5208197 -0.100492485 1.2516497 -6.8159833 1.5307426 -2.4026437 -4.5653825 5.728888 |
44,230,566 | Tyr-Asn is a dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-asparagine. It derives from a L-tyrosine and a L-asparagine. | -1.5707551 4.0623455 -1.4696163 -5.9798756 1.5297947 -9.474101 -2.6294312 3.8919418 -4.656 1.6490037 4.368106 -8.045207 1.0678649 0.136687 -0.15969345 -3.4473283 -0.048851535 -0.54150355 -9.290437 4.15798 -6.0460863 -5.2083163 -1.5148867 -6.581251 -0.16147819 1.1356678 1.9209826 4.0733066 -3.6986723 -5.572023 -0.41487288 -3.2517626 1.9739002 4.350765 0.9222396 3.424955 -0.91677 3.1130874 1.5471684 6.0008764 -3.491038 1.3736215 -0.13235337 -2.356893 -7.205016 -1.3540035 2.0929265 1.1176137 -2.8116477 5.8027015 4.859368 2.9307373 0.20401768 3.5701847 1.4687287 -0.027057588 0.3289409 -1.7579432 -1.8514308 -1.9949493 -1.5547031 -2.365013 3.8735452 2.1597552 -4.980647 4.0296693 3.2271369 2.052024 -1.3415767 2.9723966 1.7856629 4.32611 -4.7091823 0.68827665 -3.3960683 -1.428189 -3.6119218 1.6397269 2.5675786 7.1509156 -4.157443 -4.8172207 -2.415408 3.104359 3.5336456 -2.87011 0.7050974 2.4404657 4.695145 -0.08207841 -1.2736064 -2.2024775 -2.1885998 3.3961248 -0.82872593 0.8687531 0.7072895 -1.1444664 -6.702868 0.6965751 1.9981337 -0.14501049 -4.9628944 -4.245775 2.2281222 -2.191682 -0.7522562 -1.3798515 -0.12408577 2.3984835 -4.1494985 -4.368617 -5.074987 0.37552163 3.7714672 -2.8644373 5.2393274 2.7679458 2.014867 5.116564 0.9946756 -0.9217884 -5.718285 -1.3104272 4.788484 -5.159828 6.4508767 9.067193 -0.044436544 0.37789664 8.126992 1.5959716 -5.967306 4.25888 6.0715218 0.005183354 -3.1639922 -1.959917 8.652643 0.6715119 -0.9612098 -2.0470774 1.0687559 5.0873566 10.370519 -8.14305 -1.7423725 3.9478302 -6.336442 1.1348048 5.900663 -2.3322375 -7.1200533 1.4662609 -1.7893473 1.4989018 6.762954 2.9275775 3.6912327 -4.7080374 -5.863243 -0.53098476 -1.8914254 -5.445122 3.6617494 -5.9439125 11.944845 3.3824058 -3.2051 -1.9604944 -2.4427621 3.1411352 4.88188 0.1903383 1.1405426 -3.3719134 9.736321 4.296547 -8.074646 -7.324109 6.823527 -2.6919773 -6.8075657 0.45730186 5.600447 2.4571838 -4.814188 0.5684404 2.6834886 3.6201818 9.072929 3.5458243 2.1030674 -4.0438795 -5.2119718 1.2479911 3.4189732 2.1260803 1.0242307 -2.5008774 -4.368411 -7.0516553 1.1379584 2.9603183 -0.055823 -1.4081075 3.5539982 1.448595 6.145115 4.1931963 1.073779 3.465931 1.1983387 0.045736954 3.8342268 2.4750698 -5.917957 0.8655336 2.8817668 -1.1459299 0.61894804 -1.5290251 -5.9454145 1.5817803 -9.04449 1.5333608 -0.023224581 -0.4164588 -5.2454004 2.1917136 0.9800922 6.0159345 -4.4166975 -2.9681368 0.09933676 2.8802857 2.473661 -0.38163948 0.29998216 -0.74917215 2.5889184 -0.23007914 -1.4447123 -0.24368314 0.9298586 -4.790361 0.42165002 -0.5406101 -3.9427228 2.4056454 5.230135 4.684552 -1.5847495 3.0323477 -3.9514995 1.7949439 6.107888 -4.7748494 1.7139764 -3.1354585 0.32102582 -5.9545746 -2.1548285 1.1547189 -1.108775 0.06533672 2.4832053 3.4218466 4.400533 -0.4536746 -1.853297 0.4914235 2.13392 6.3912244 7.732755 -2.8538783 0.36615244 2.1435008 -1.6420333 -1.1498747 -5.8781495 -4.117981 -1.7084854 3.9359875 5.6555524 -2.3734667 3.309199 0.9098368 4.02907 -2.403804 7.561678 -1.5582887 4.767637 -3.0725896 -0.8224892 -5.703224 2.5679321 -0.06522608 3.2998674 4.0291343 |
3,014,955 | 3-chlorobenzoate is a chlorobenzoate that is the conjugate base of 3-chlorobenzoic acid. It derives from a benzoate. It is a conjugate base of a 3-chlorobenzoic acid. | -0.93166745 2.7196012 -0.71205604 -2.002194 -0.23640904 -3.9871724 -3.832516 1.5091815 -1.4555595 0.3744319 2.940501 -1.8176527 -0.1264027 1.4399929 0.9110114 -0.56105775 0.5604548 0.2616104 -4.198955 2.2239296 -3.143425 -1.9221201 0.027636945 -3.4150553 0.66834414 -0.13897014 -0.85531175 2.8966007 -0.52696 -3.1395316 -1.9811754 -2.6928034 2.2708044 2.310509 -0.27405158 3.1049852 1.8511182 0.94480455 0.5868637 1.205064 -2.6331515 0.6320627 1.4939283 -2.354633 -0.8802613 -1.1065208 3.4902816 -2.916921 -1.7013782 1.135006 4.259486 0.2175023 2.7675548 2.045506 0.57002175 0.2856562 -2.011066 -2.8482387 -2.8418128 0.85653865 0.2674949 0.20069471 -0.53976595 0.6067225 -0.79335463 1.5656799 0.43809956 0.38662878 -0.78664726 1.3473301 1.194447 2.3599327 -0.7381405 -0.78191423 -2.2935524 -0.8863467 -1.55533 1.1741896 2.5406132 3.3197079 1.136002 -2.8136325 0.24532506 -0.97392035 -0.827078 -0.9917338 -0.2732467 0.65053785 2.5940056 0.57993793 -1.0557687 -2.6826928 -0.3696895 1.8360558 -0.016184747 1.1019832 -0.31818637 0.08114785 -4.269054 -0.59592736 -0.16256979 -1.9263364 -2.6612058 -1.5878208 0.55016154 0.0074535906 -0.3667146 -2.477988 0.41941118 1.0875005 -0.3658974 -3.013814 -1.9541007 -1.4190011 2.91656 -1.2495127 2.7297645 0.6243569 0.031627625 1.7855818 1.2265091 -3.0632663 -1.9332564 -1.3656268 2.7978055 -1.812924 2.3377373 2.3019612 0.7203539 0.0906723 2.5523953 0.15282121 -4.568424 1.9727924 2.9031494 2.4440975 -0.7346208 -2.1179547 1.5328331 1.7875373 -0.15678877 -0.38916242 -0.27770206 0.861377 4.1218834 -3.8325489 -0.7472775 1.4321214 -1.9562379 0.5416567 3.347945 -2.0457132 -4.2765355 -0.20901543 0.9705046 -0.08140193 2.6910512 -1.2576331 -0.52454007 -2.552097 -0.81754917 -0.572497 -1.7308518 -1.10589 1.9316899 -3.2871835 5.6382303 1.6735002 -2.700257 -0.7828429 -0.5413358 -1.2526805 3.2758756 -0.47810948 2.1351972 -2.3463676 1.7635262 -0.061462462 -1.4810662 -0.7274166 4.069647 0.7409864 -2.8190684 -0.6848721 1.3988951 -0.20767969 -4.520018 2.0019398 -1.0260419 0.51171494 5.1492643 -0.21491694 -0.38642815 -0.51475155 -3.6582024 -1.1989088 2.3353927 -0.6636952 -1.0117763 -1.7345761 -0.46231213 -4.5683312 1.1009531 2.133184 0.18478943 0.4816131 1.0936633 -0.8530544 2.9496784 1.7028334 -1.7800925 3.2617426 1.2968688 0.36574036 3.4572983 0.028409325 -2.5720408 -0.066356 -0.24312289 -0.69132423 2.393908 -3.6333373 -3.6852002 -1.0315107 -2.9971554 0.28458726 2.797887 -2.3787425 0.3079403 -1.8129787 1.3146853 4.5182767 0.97714645 -0.88640475 -0.6206682 0.070753366 -0.24359426 -0.3883455 0.17471752 0.6839348 0.69835836 -2.2981389 -1.5209169 1.2774407 -1.3129556 -2.108644 3.0897565 1.5718038 -2.7497618 0.42186525 1.8936714 3.0433319 1.6820911 -1.0081934 -2.6503186 -0.14908814 2.107902 -0.61117613 1.0068612 -3.4319644 -0.29026884 -0.2978344 -2.1306324 1.420798 -3.6310828 -0.95470464 -1.5700731 0.82959735 0.78901565 1.5598103 1.0050292 -1.0561383 1.8778385 5.1003103 4.7105856 -2.9574072 2.2270367 2.9317904 -1.5581725 -0.010802045 -3.7003474 -3.1787949 -1.8804798 2.3730872 0.955073 -0.44217175 2.374379 -0.9777949 1.0318028 -1.0155503 2.2632666 2.0389373 1.8995557 -2.2011967 1.6744956 -1.2325945 0.5454465 0.8474532 0.93840873 2.239036 |
10,315,720 | NK372135B is a dinitrile that is butanedinitrile substituted by 4-methoxybenzyl and 3,4-dimethoxybenzylidene groups at positions 3 and 2 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity. It has a role as a metabolite and an antifungal agent. It is a member of methoxybenzenes and a dinitrile. | -4.343137 2.8963275 -0.58861315 -1.7477973 -0.66637987 -6.218838 -9.371149 -2.4071038 -3.940388 2.7407568 9.629753 -7.8294563 4.646864 10.179242 4.2811465 -2.7421882 4.288819 1.6830769 -14.534265 7.83414 -0.50717914 0.8776736 0.89021814 -8.781308 -2.9764612 -1.2173991 -1.8071095 11.107562 -2.6438394 -5.17381 2.3001199 -1.7392877 3.3490267 5.1413417 3.455323 2.1138225 1.7908984 2.9601777 3.867132 -3.6307116 -0.7966509 3.045451 -1.2987959 -7.229367 -0.4926341 -8.128936 7.9300885 -6.0755363 -0.36380064 1.8279434 9.842245 -0.06511438 2.5517602 4.7992544 -2.4953928 -0.26814297 -2.7134116 -4.821039 -3.858924 -3.1728423 -5.6237683 -1.5511956 -3.584543 6.6940727 0.43639833 0.7137426 1.3056985 -2.6074696 0.8517968 4.291643 1.1723005 3.604311 -3.0314415 2.3101723 -7.038763 0.23792097 -8.480214 7.790058 6.636635 10.203621 -0.20363094 -3.6897452 -1.0053376 4.3423347 -0.6967528 -3.3062859 -1.088629 -4.4443817 11.625718 -1.0370777 -3.556603 -8.840664 0.79984033 0.60663646 4.3187637 0.38400772 3.6149504 -1.5200621 -4.6605053 1.136905 2.8081756 -3.5014434 -4.498499 -3.5422509 0.43690175 4.9615827 2.7796965 -7.516666 1.0368079 5.1622868 -2.6004374 -4.0801086 -7.0829215 -4.3071904 5.690663 -1.4184192 3.432245 3.418801 1.2833894 3.9764702 3.715467 -3.561246 -1.3280334 0.071096584 8.391263 -9.43886 7.406631 6.351345 -2.2803485 2.4805615 4.7931213 -1.5970478 -9.02828 2.7049844 7.0697255 2.933226 -3.1943526 -4.18033 3.4106908 4.745078 -3.1384258 1.3840922 2.1945767 2.2022138 11.026291 -10.565418 -4.6110744 2.4776876 -6.8772836 2.7501745 7.0690756 -5.176676 -10.070613 4.515194 -0.55503595 4.455941 2.0575125 2.0280645 1.4501802 -5.674015 -4.613603 -0.38629955 -0.46471187 -0.89460796 8.88853 -5.3695292 11.985204 8.303008 -3.1570773 -3.4160264 -0.7189609 2.4148736 6.496915 -3.0584621 4.845513 -5.168457 7.6384706 -0.4729212 -9.367797 -3.0736523 7.1518106 0.101805754 -3.4568584 -3.6481643 4.787289 -0.17187198 -9.663243 2.5832262 0.6461262 1.6582752 7.1826243 -2.131804 -0.36955357 -3.6640017 -2.9786294 -1.0980206 3.5228574 -1.2694814 4.476361 -0.9587714 3.6821868 -5.498378 3.4887471 1.5951502 2.0498729 -1.656735 -2.5485544 -1.4512038 6.445611 1.887802 -3.5107622 8.064019 2.5115602 -0.8047975 6.87912 3.5380702 -4.2004833 8.83848 3.7810173 -0.5105097 6.363349 -7.982063 -6.8581896 -2.2397363 -8.008373 3.178727 6.1386743 -2.5835989 0.2894577 0.17923096 2.5902317 13.940042 -1.3822324 -3.3724737 -2.8650427 1.4200811 -4.347023 0.6822239 -1.5104915 -1.1374195 2.5930033 -5.8395534 -0.19606715 -1.831615 -1.088886 -1.4435935 3.7373466 -2.643828 -6.634979 3.3513474 -1.9538745 5.634724 10.1754 0.3950163 -3.8232274 0.13842186 2.708764 -7.2346406 1.6087052 -6.246593 -3.92247 -4.1481957 -6.439037 0.6245954 -4.309497 -1.6222221 0.2925436 3.1245165 1.4943177 1.5627853 1.7265079 -4.572917 1.8630238 11.677766 13.022324 -5.2424417 4.8836265 10.086286 2.551968 -1.1813152 -11.179793 -9.208562 -12.956608 7.8870163 6.787153 -1.3674043 4.809802 -1.8464231 4.776676 0.6315359 3.7845933 4.3894773 8.862167 -3.812687 3.4088776 -5.09602 -0.8402443 2.0851786 3.7761874 7.72491 |
52,921,823 | (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid is a very long-chain omega-6 fatty acid that is dotriacontapentaenoic acid having five double bonds located at positions 14, 17, 20, 23 and 26 (the 14Z,17Z,20Z,23Z,26Z-isomer). It is a dotriacontapentaenoic acid and an omega-6 fatty acid. It is a conjugate acid of a (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoate. | 4.9324327 8.696833 1.9184766 -9.1250105 -0.47774333 -6.5917153 -7.1682487 4.2567058 -13.428411 9.181799 15.299993 -10.508679 5.7809763 -0.53555965 0.85415864 -5.431898 4.4383163 9.895143 -15.194397 1.2413574 -2.2546482 -2.1385567 1.6928103 -16.444786 -5.8253193 9.901616 1.925875 15.627973 -8.117977 -8.008667 0.4813932 -7.867426 -3.8634715 6.9876375 16.591734 10.947266 -3.2719607 17.310986 -1.3970351 9.863437 1.4138948 -15.306913 -2.4858217 -2.3192115 -13.726584 3.2072196 -1.8428776 3.43925 -3.4885917 7.281682 11.708048 8.458819 10.788568 9.596839 4.420398 -10.363538 -1.1981239 0.07279996 1.842618 -6.0874066 -0.48939952 -15.784594 -1.0869023 19.438066 6.9301815 1.4781163 0.81349295 -1.0983403 6.585775 -12.218301 4.51645 -4.3367386 -5.760617 5.0436277 -1.7644491 4.002645 -2.5862472 11.77546 5.4605374 2.774191 -7.4829183 0.039034415 3.6646063 15.479266 3.218897 -0.9185374 -0.49750373 0.89349294 16.567572 -12.437159 3.7911272 7.3766727 12.303294 -4.1311145 -1.7725748 -2.4438784 -0.5724019 0.50159895 4.910965 8.836737 6.7495613 4.052778 -8.139565 -1.3171409 -13.128807 9.792288 0.49360627 2.38477 7.5247765 12.085309 -6.8990436 5.7630506 -15.506406 -6.392548 -1.1942617 1.7795777 -8.700794 10.347425 9.872658 14.818362 20.520123 2.957441 0.7056818 0.6365637 11.580013 -26.68467 11.939827 18.869038 -4.760763 13.922052 16.10892 -12.7742195 -5.8049965 3.9299583 11.41198 -6.3433137 6.7113867 1.5911739 18.172495 3.7524915 -6.848471 1.2528853 3.9628077 6.859765 14.152499 -23.347193 -7.518166 15.934484 -12.3609 -0.48663515 0.5723859 -2.8064435 -13.368531 3.957877 -5.8440185 4.164604 2.563232 14.006466 22.080845 -3.2353556 -15.918221 7.4478536 -4.116045 -8.715304 13.993176 2.5152857 4.444032 16.06428 -5.295775 9.869228 2.3190691 10.9937 -1.4067817 4.3866754 -1.2824471 2.5716949 18.813177 4.53376 -14.316694 -11.648094 0.9943192 3.4870644 -6.5139513 0.5646207 12.047964 5.294226 -5.304076 -2.0213346 7.5307703 12.179473 2.9892826 17.214222 -0.9851317 -2.2961955 2.4386775 7.22013 6.8664837 8.353863 9.822546 3.8235278 -4.3054204 1.8382502 3.8855832 1.0346919 4.5217447 -10.444206 1.4403732 -5.2288766 2.813665 -2.9137614 -6.8232346 3.0519454 11.077467 -15.651494 5.311406 -5.8762355 -2.552977 -8.853438 10.974785 -7.0471797 -6.534172 13.998899 -9.510454 6.214257 -26.435396 7.1696525 -11.240961 -2.1878011 -8.557561 9.94162 5.239793 2.3755016 -4.168585 -7.635339 2.6768904 0.81388307 16.488611 -2.5066376 -10.713546 -5.361887 -3.7325299 -3.6683643 3.4796739 -3.027326 0.721682 7.057709 -0.43000937 -1.0330306 -6.8024187 17.506577 12.432527 0.36521137 -2.4817934 3.2586608 5.4453087 -7.618363 13.447363 -7.090154 -13.643312 -8.823146 5.511302 -7.968725 -4.6408534 -6.519 4.9345984 1.8896797 7.7864513 -9.18005 12.736128 -4.062926 -9.065216 -4.182817 0.50211996 4.188939 -3.4628386 19.508478 -3.697382 -0.15948491 12.112467 -8.191216 -10.70299 6.098049 -5.3076773 0.095328815 11.52098 10.989201 2.624867 -5.4859214 10.389004 11.468761 8.859881 2.6152852 7.727406 -0.4026919 6.6399856 -4.3324423 6.7005477 0.5311561 3.16349 4.523076 |
53,355,130 | 7-epi-zeaenol is a macrolide that is a C-7 epimer of zeaenol. Isolated from Fungi, it exhibits inhibitory activity against NF-kappaB. It has a role as a metabolite and a NF-kappaB inhibitor. It is an aromatic ether, a macrolide, a member of phenols and a secondary alcohol. | 0.07517947 5.3759065 -2.2729573 -0.4110369 -1.8321594 -10.451485 -7.8863482 0.5305265 3.0833282 6.4183917 3.1441302 -5.4768896 -1.6504195 13.545852 7.9706683 1.5658177 6.561277 -1.1042272 -13.498708 7.6514177 -5.5658903 -11.318803 -4.461522 -3.6029913 -2.8333535 2.0200691 0.011481911 9.149308 -0.019677453 -4.9359236 1.5246459 -2.0468462 2.9515405 7.114752 7.388028 1.4485981 0.3751643 5.040667 -1.6821021 -2.1189601 -5.1508985 3.8684254 6.122612 -4.6427836 2.4245844 -5.571682 5.1057916 -3.3460286 0.18737559 9.342125 8.816719 -3.334889 8.96889 -0.19673878 3.218477 3.6339495 -4.0769205 0.7196763 -2.8423924 -0.87930655 3.8051505 -4.995036 -3.458686 5.9320536 -2.4291952 -3.0195205 1.6806518 5.281605 -1.4973161 -0.68032837 1.0715015 2.1911547 -4.600711 0.82842034 1.0936027 -5.527863 -5.9281654 10.358261 5.585655 6.6601477 -2.082215 -4.555844 1.7319682 2.683014 3.5363965 -5.485531 2.9412131 -4.9543157 10.609044 -4.0805945 -0.3506905 -2.6127095 -0.26545835 0.99787223 0.92279357 1.9698262 1.7367353 1.7756915 -3.839046 -3.405759 0.6921985 -7.3517013 -9.131038 -0.79590046 8.14066 2.1751175 -1.0101984 -5.238741 -0.3878941 0.6505791 -5.723409 -1.4125372 -0.42208332 -0.7812886 9.797347 -5.5316873 1.018319 0.67386156 6.0619483 5.324192 5.7878723 -0.5749662 -5.5822067 -2.4185956 8.104434 -11.503483 9.78815 4.306027 -7.6735992 6.4172654 3.948443 4.3306227 -10.323368 3.022537 14.388966 5.7521677 1.2322129 -0.6146984 4.557698 10.313278 -3.4346387 -0.7102808 -0.8706049 3.145919 10.061516 -5.506251 -3.87946 3.600416 -8.06828 2.6147423 7.3544226 -3.5359766 -13.252095 3.5026298 -2.0213351 1.3675168 10.68933 2.8922968 4.5130644 -7.0699368 -7.034348 0.8294457 -4.146159 -2.3825002 5.165831 -3.0951471 12.726632 5.7355494 -7.7808475 -4.5645647 1.9509901 5.5557942 5.6725464 -0.47449753 1.4055278 -1.3811302 1.965054 4.5306807 -2.0142221 4.3938265 -0.09360992 1.6300988 -8.850226 -4.045133 4.011003 -4.9768515 -5.5633793 1.6304704 0.25693598 1.03975 5.0693808 1.7241817 1.3178282 1.9169637 -3.3389242 0.5892235 4.808179 -1.3625914 0.43408138 2.405182 3.6063185 -7.851852 4.094038 6.9026046 0.5701846 2.1162486 -0.73953795 -3.1171255 3.7027059 4.401112 0.52395284 4.9694567 -1.3103927 -3.024384 0.6802928 2.3776913 -1.3233681 2.0250604 -0.5417275 -7.0331144 3.8863742 -8.632578 -3.1657197 1.4158909 -3.2364194 -6.727322 -0.3504644 -1.3435999 3.3720512 -2.2563932 4.091525 5.983237 5.6879454 -2.9857485 -2.0104206 0.60673046 2.7783747 0.28737238 -2.1412811 -6.6976986 -3.9763637 -5.6682467 -5.9024615 0.9730613 0.77330005 -1.266735 1.783494 -0.64250875 -4.3006454 -5.265299 3.1776462 6.3802366 0.6331533 4.5100985 1.8850604 3.224848 4.9771647 -8.023451 -0.5232801 -1.4524527 -6.378843 -2.5742817 -5.8249173 0.8901372 -7.64461 -2.1259236 2.5923984 -1.6631107 2.9144254 4.6138687 2.8111088 -1.7241368 -2.2014601 5.9966526 8.694233 -1.4777706 3.1543899 1.9863682 2.450985 -0.10760628 -8.351945 -4.800926 -2.451143 6.0397434 6.7821493 -7.36262 -2.8612204 -1.1337314 6.808588 2.935463 -1.2871952 -1.4573714 12.482033 -1.328181 0.2091802 -10.065148 3.8619087 -4.962547 0.9820188 6.6735535 |
5,282,451 | Pitavastatin calcium is the calcium salt of pitavastatin. Used for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise. It has a role as an antioxidant. It is a calcium salt and a statin (synthetic). It contains a pitavastatin(1-). | 5.597846 24.829588 -6.7763267 -12.820709 0.8509457 -21.213442 -23.830961 9.310162 -14.273427 10.358503 17.082214 -19.757793 -1.2516366 23.405985 4.109069 -8.809285 9.611815 1.0893058 -28.149368 15.6139555 -19.248014 -10.04329 -4.0533257 -20.61946 -7.688259 -0.15759021 6.475437 23.009125 -5.64629 -10.083375 -2.5428944 -3.4432793 1.8562119 12.269756 9.755096 10.451799 10.501949 9.942213 -4.389903 1.8285334 -8.518599 3.2098796 7.282124 -5.924697 -10.840647 -4.156948 15.996115 -8.848428 -3.4090757 8.429678 19.290749 5.8707695 10.001198 9.341594 -4.9472437 -0.1453476 -1.4940269 -7.663929 -11.383933 -4.3782096 3.0701103 -6.914045 0.58940375 9.49739 -2.0536618 3.9320693 2.4299252 0.77723986 -0.20567548 1.3380029 2.2360911 7.8553786 -8.596609 -0.13312632 -7.744938 -2.018906 -9.751925 20.860939 18.140974 18.220867 -0.9078879 -11.884645 4.395165 2.6348505 -1.2787764 -11.048307 2.4503567 -2.5390344 22.765514 -7.6773496 -6.3229856 -17.802002 -0.62028146 -1.5669637 0.5864613 8.235896 -3.1340804 -2.5378237 -17.527481 3.6738164 1.6132721 -13.478113 -17.54815 -11.716721 7.2943287 5.3377943 -6.139122 -2.9814496 0.08360037 6.1981297 -12.031025 -9.162359 -11.867532 -8.343127 17.40681 -14.166449 3.7644427 7.9274383 7.8864193 18.425852 12.132191 -3.9143233 -16.596992 -2.5857165 18.464252 -17.483883 18.11222 19.624397 -7.4138002 3.190349 18.76163 0.93214446 -23.062504 1.6670096 22.133724 3.2884383 -3.1364377 -11.115832 10.923026 9.882717 -6.9942646 -1.30853 -1.4516258 17.034054 21.940348 -19.525043 -4.9736843 8.516418 -16.82673 5.115031 16.52616 -11.682741 -32.214413 7.6456995 -3.8582242 -3.2660804 11.587597 9.424924 7.067901 -17.711573 -9.003202 2.0138018 -7.221032 -11.148901 11.007681 -11.144214 26.424438 5.1124268 -3.397769 -2.761502 -7.9741793 1.3150457 17.853424 -4.349625 5.164409 -6.119892 13.815751 2.1450078 -10.414075 -4.212333 19.545664 0.46348274 -16.184454 -4.764738 14.37142 -0.30634585 -18.601118 4.200724 4.4594073 7.76311 24.526878 5.190552 -3.0667338 -8.859495 -9.818826 -0.745883 10.9147 -0.55659914 0.0023727491 -0.42834723 7.4317594 -15.871471 2.9324827 6.801364 5.8936024 6.057643 -0.16889928 -7.340727 22.197773 8.473749 -0.048832364 18.402971 7.337072 4.020982 13.573942 4.82413 -5.5461507 -2.0732226 -4.7817035 -8.836089 7.0269165 -19.212444 -14.518858 -3.4865198 -22.9397 0.028969824 9.897752 -4.8613176 1.4304321 -0.46111047 3.0406592 19.892078 9.093396 -10.556746 1.547947 -1.731394 0.98152983 1.5520983 0.79513264 -7.7180047 0.4769418 -14.331857 -7.5831256 -1.4439982 5.5160646 -3.2690623 2.877003 5.0282855 -14.076571 4.8075457 11.799544 15.345661 10.655081 4.0879903 -11.038219 -1.7984736 18.416456 -11.322718 0.16363668 -16.290565 -0.2822216 -10.042914 -14.556399 6.5028887 -16.849361 3.1492708 -1.1940515 -2.053453 8.225679 7.808737 4.9044847 -1.4672341 1.5738937 16.94033 29.375515 -4.9439282 7.975183 7.5268807 0.26008296 -7.1617126 -21.670097 -12.926197 -7.945866 17.342848 10.036095 -7.026492 4.6946445 -4.372828 13.225569 -1.8614452 5.9270434 4.12001 22.722649 -10.375515 2.5509434 -18.144554 2.9218366 4.5408916 3.8138938 13.665887 |