anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1O[C@@H](OCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-9-hydroxynon-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E)-9-hydroxynon-2-enoic acid . It is a conjugate acid of oscr#3(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule O1[C@@H]([C@H]([C@H]([C@@H]1N2C(NC(C=C2)=O)=O)O)OC(=C)C(=O)O)COP(=O)(O)O O1[C@@H]([C@H]([C@H]([C@@H]1N2C(NC(C=C2)=O)=O)O)OC(=C)C(=O)O)COP(=O)(O)O is A uridine 5'-phosphate that is UMP in which the hydroxy hydrogen at position 3 has been replaced by an enolpyruvyl group. It has the role of bacterial metabolite . Its functional parent is uridine . It is also related to or classified as uridine 5'-phosphate , pyrimidine ribonucleoside 5'-monophosphate .
The molecule C12=CC=C(C=C1CC[C@@](O2)([C@H](C[NH2+]C[C@@H]([C@]3(OC=4C=CC(=CC4CC3)F)[H])O)O)[H])F C12=CC=C(C=C1CC[C@@](O2)([C@H](C[NH2+]C[C@@H]([C@]3(OC=4C=CC(=CC4CC3)F)[H])O)O)[H])F is an organic cation obtained by protonation of the secondary amino function of (R,S,S,S)-nebivolol. It is a conjugate acid of (R,S,S,S)-nebivolol . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule [NH3+][C@@H]([C@@H](O)c1ccccc1)C([O-])=O [NH3+][C@@H]([C@@H](O)c1ccccc1)C([O-])=O is zwitterionic form of L-threo-3-phenylserine arising from transfer of a proton from the carboxy to the alpha-amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule O=C(N[C@@H](C)C([O-])=O)CCCCCCCCCCCCCCC O=C(N[C@@H](C)C([O-])=O)CCCCCCCCCCCCCCC is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N-palmitoyl-L-alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-alaninate(1-)  . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule O=C1O[C@@](C(=O)O)([C@H](C(=O)O)CCCCCCCCCCOC(=O)C)CC1 O=C1O[C@@](C(=O)O)([C@H](C(=O)O)CCCCCCCCCCOC(=O)C)CC1 is Spiculisporic acid E. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CC1=C(C=C2C=CC(=C(C2=N1)F)F)OC3=C(C(=CC=C3)F)C(C)(C)O is a member of the class of quinolines that is quinoline substituted by a methyl group, 3-fluoro-2-(2-hydroxypropan-2-yl)phenoxy group, fluoro group and fluoro group at positions 2, 3, 7 and 8, respectively. It is a fungicide being developed by Nippon-Soda Co. Ltd (Japan) which has stable efficacy against a wide range of plant diseases, such as gray mold, scab and rice blast. It has a role as a fungicide. It is a member of quinolines, an organofluorine compound, an aromatic ether and a member of benzyl alcohols.
The molecule O1[C@@H](CC(=O)C=2C1=CC(OC)=CC2O)C3=CC(O)=CC(O)=C3 O1[C@@H](CC(=O)C=2C1=CC(OC)=CC2O)C3=CC(O)=CC(O)=C3 is Blumeatin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@]12CC[C@@]34CC[C@@H](C[C@@]3([H])[C@]11CCC[C@H]2CNC1)[C@@H](C)C4 [H][C@]12CC[C@@]34CC[C@@H](C[C@@]3([H])[C@]11CCC[C@H]2CNC1)[C@@H](C)C4 is atidane. It is also related to or classified as diterpene alkaloid , terpene alkaloid fundamental parent .
The molecule CCCCCC(C1=C(C=C2C(C(C3=C(C=C(C=C3O)OC)C2=O)=O)=C1O)O)=O CCCCCC(C1=C(C=C2C(C(C3=C(C=C(C=C3O)OC)C2=O)=O)=C1O)O)=O is 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-anthraquinone. It is also related to or classified as polyketide  . It is also related to or classified as trihydroxyanthraquinone .
The molecule [C@@]12([C@@H](CC[C@@]([C@@]1([C@H](CC2)CC(C)=C)[H])(O)C)O)C [C@@]12([C@@H](CC[C@@]([C@@]1([C@H](CC2)CC(C)=C)[H])(O)C)O)C is A sesquiterpenoid that is (+)-homalomenol A in which the double bond of the 2-methylpropen-1-yl group has migrated from the 1-2 position to the 2-3 position. It has the role of plant metabolite . It is also related to or classified as diol  .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as sesquiterpenoid , carbobicyclic compound , olefinic compound .
The molecule Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O is an aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine. It has the role of antiinfective agent . It has the role of drug allergen . It is also related to or classified as polyphenol , aryl sulfide , monochlorobenzenes , bridged diphenyl antifungal drug .
The molecule BrC1=C(O)C(=CC(=C1)O)CO BrC1=C(O)C(=CC(=C1)O)CO is 2-bromogentisyl alcohol. It is also related to or classified as organohalogen compound  . It is also related to or classified as benzenediols .
The molecule C(CN(C(/C=C(/CCO)\C)=O)[O-])C[C@@H](C(=O)OCC/C(/C)=C/C(=O)N([O-])CCC[C@@]1(NC([C@](CCCN(C(/C=C(/CCO)\C)=O)[O-])(NC1=O)[H])=O)[H])N.[Fe+3] C(CN(C(/C=C(/CCO)\C)=O)[O-])C[C@@H](C(=O)OCC/C(/C)=C/C(=O)N([O-])CCC[C@@]1(NC([C@](CCCN(C(/C=C(/CCO)\C)=O)[O-])(NC1=O)[H])=O)[H])N.[Fe+3] is an Fe(III)-complexed hydroxamate siderophore with formula C33H51FeN6O12 that is secreted by several fungi and bacteria. It is also related to or classified as homoallylic alcohol  . It is also related to or classified as Fe(III)-complexed hydroxamate siderophore .
The molecule C[C@H]1C[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H]([C@@H]([C@]3(CCl)O)OC(=O)C)OC(=O)C)C(C)C)[C@@H](O2)[C@](CCC1=O)(C)OC(=O)C is an eunicellin diterpenoid isolated from the soft coral Klyxum molle. It is the C-7 epimer of Klymollin A. It has a role as a coral metabolite. It is an acetate ester, a cyclic ketone, a eunicellin diterpenoid, a macrocycle, an organochlorine compound and an oxacycle.
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-17-hydroxyheptadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E)-17-hydroxyheptadec-2-enoic acid . It is a conjugate acid of oscr#29(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule OC(=O)CCCC[C@H]1CCSS1 OC(=O)CCCC[C@H]1CCSS1 is the (S)-enantiomer of lipoic acid. Not found in nature, it may exert detrimental effects on biosystems. Its functional parent is octanoic acid . It is also related to or classified as lipoic acid  . It is also related to or classified as dithiolanes , heterocyclic fatty acid , thia fatty acid .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O is a 1-acyl-sn-glycerol 3-phosphate having myristoyl (tetradecanoyl) as the 1-O-acyl group. It is a 1-acyl-sn-glycerol 3-phosphate and a tetradecanoate ester. It is a conjugate acid of a 1-myristoyl-sn-glycerol 3-phosphate(2-).
The molecule [H]O[O] [H]O[O] is hydroperoxyl. It is also related to or classified as oxygen radical , reactive oxygen species .
The molecule OC(=O)CCCCC\C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC OC(=O)CCCCC\C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC is Tetracosahexaenoic acid, n-3. It is also related to or classified as very long-chain fatty acid  .
The molecule CCCCC1(C=2C=C(C=C(C2C(=O)O1)OC=3C(=C(C(=CC3O)O)C(=O)O)CCCCC)OC)O CCCCC1(C=2C=C(C=C(C2C(=O)O1)OC=3C(=C(C(=CC3O)O)C(=O)O)CCCCC)OC)O is A member of the class of 2-benzofurans that is 3-butyl-3-hydroxy-2-benzofuran-1(3H)-one substituted by a 3-carboxy-4,6-dihydroxy-2-pentylphenoxy group and a methoxy group at positions 4 and 6, respectively. It is a metabolite isolated from the Sumatran lichen, Stereocaulon halei. It has the role of radical scavenger . It has the role of lichen metabolite .  It is also related to or classified as phenols  . It is also related to or classified as benzoic acids , aromatic ether , 2-benzofurans .
The molecule C(CN(C(/C=C(/CCO)\C)=O)[O-])C[C@@H](C(=O)OCC/C(/C)=C/C(=O)N([O-])CCC[C@@]1(NC([C@](CCCN(C(/C=C(/CCO)\C)=O)[O-])(NC1=O)[H])=O)[H])N C(CN(C(/C=C(/CCO)\C)=O)[O-])C[C@@H](C(=O)OCC/C(/C)=C/C(=O)N([O-])CCC[C@@]1(NC([C@](CCCN(C(/C=C(/CCO)\C)=O)[O-])(NC1=O)[H])=O)[H])N is A hydroxamic acid anion resulting from the removal of a proton from each of the three hydroxamic acid groups of desferricoprogen B. It has the role of siderophore . It is also related to or classified as hydroxamic acid anion .
The molecule [H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC [H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC is A D-aldohexose that is D-glucose in which the hydrogen of the hydroxy group at position 6 has been substituted by a methyl group. Its functional parent is aldehydo-D-glucose . It is also related to or classified as D-aldohexose derivative .
The molecule C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O is a semisynthetic, second-generation cephalosporin, with prop-1-enyl and (R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is used to treat bronchitis as well as ear, skin and other bacterial infections. It has a role as an antibacterial drug. It is a cephalosporin and a semisynthetic derivative.
The molecule NC(CCCNC(N)=O)C(O)=O NC(CCCNC(N)=O)C(O)=O is the parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position. It has the role of hapten . It has the role of Daphnia magna metabolite . It is a conjugate acid of citrullinate . It is also related to or classified as citrullines .
The molecule C1=CC(=CC2=C1C(C(=CO2)C3=CC=C(C(=C3)OC)O)=O)[O-] C1=CC(=CC2=C1C(C(=CO2)C3=CC=C(C(=C3)OC)O)=O)[O-] is major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC(O)=C(C3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=C2)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC(O)=C(C3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=C2)CO is Steppogenin 4'-O-beta-D-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [NH3+]CCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC([O-])=O [NH3+]CCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC([O-])=O is A zwitterion obtained by transfer of a proton from the carboxy group to the amino group of pre-putrebactin; Major microspecies at pH 7.3. It is also related to or classified as zwitterion  .
The molecule Oc1cc2O\C(=C/c3ccccc3)C(=O)c2c2OCOc12 Oc1cc2O\C(=C/c3ccccc3)C(=O)c2c2OCOc12 is A hydroxyaurone that is aurone substituted by a hydroxy group at position 6 and a methylenedioxy group across positions 4 and 5 respectively. It has the role of plant metabolite . Its functional parent is aurone . It is also related to or classified as hydroxyaurone .
The molecule CC(=O)[C@]12[C@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C is an epoxy steroid that is pregnenolone which has an epoxy group whose oxygen is attached to the 16alpha and 17alpha-positions. It is a sterol, a 20-oxo steroid, a 3beta-hydroxy-Delta(5)-steroid, a C21-steroid and an epoxy steroid.
The molecule C(CCCCCCCCCCC(=O)[O-])(=O)[H] C(CCCCCCCCCCC(=O)[O-])(=O)[H] is A omega-oxo fatty acid anion that is the conjugate base of 12-oxododecanoic acid, arising from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as medium-chain fatty acid anion  .  It is also related to or classified as omega-oxo fatty acid anion  . It is also related to or classified as aldehydic acid anion .
The molecule C(CCCCCC(CCCC)C)CCC(O)=O C(CCCCCC(CCCC)C)CCC(O)=O is A branched-chain saturated fatty acid that is tetradecanoic acid in which one of the hydrogens at psoition 10 has been replaced by a methyl group. It is one of a number of methyl-branched fatty acids that have been identified as constituents of sheep perinephric fat. Its functional parent is tetradecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid .
The molecule O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=C(CC=C(C)C)C=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1C=C(C)C)O4)(C)C O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=C(CC=C(C)C)C=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1C=C(C)C)O4)(C)C is Tolypocladin L. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(CC3=O)C4=CC(O)=C(O)C=C4)C=C(O)C2)CO O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(CC3=O)C4=CC(O)=C(O)C=C4)C=C(O)C2)CO is Eriodictyol 5-O-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 16-hydroxyhexadecanoic acid (also known as juniperic acid) with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 16-hydroxyhexadecanoic acid . It is a conjugate acid of oscr#28(1-) . It is also related to or classified as monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)NC(=O)CCOCCOCCOCCOCN CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)NC(=O)CCOCCOCCOCCOCN is an analogue of staurosporine where the N-methyl group is replaced by a long-chain acyl group. Its functional parent is staurosporine . It is also related to or classified as monocarboxylic acid amide  .  It is also related to or classified as polyether  . It is also related to or classified as organic heterooctacyclic compound , indolocarbazole .
The molecule OC[C@H]1O[C@@H](SC(Cc2c[nH]c3ccccc23)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](SC(Cc2c[nH]c3ccccc23)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O is an indolylmethylglucosinolate that is the conjugate base of glucobrassicin, obtained by deprotonation of the sulfo group. It is also related to or classified as indolylmethylglucosinolate  .
The molecule OC(=O)CCCC[C@@H](S)CCS OC(=O)CCCC[C@@H](S)CCS is the (R)-enantiomer and bioactive form of dihydrolipoic acid. It is a conjugate acid of (R)-dihydrolipoate . It is also related to or classified as dihydrolipoic acid  .
The molecule S(O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC2)[H])[H])(CC1)[H])C)(O)(=O)=O S(O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC2)[H])[H])(CC1)[H])C)(O)(=O)=O is Epitestosterone sulfate. It is a conjugate acid of epitestosterone sulfate(1-) . It is also related to or classified as steroid sulfate .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\C(CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O is a polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 5-hydroxy-(6E,8Z,11Z,14Z)-icosatetraenoyl-CoA; major species at pH 7.3. It is a long-chain fatty acyl-CoA(4-) and a polyunsaturated fatty acyl-CoA(4-). It is a conjugate base of a 5-hydroxy-(6E,8Z,11Z,14Z)-icosatetraenoyl-CoA.
The molecule CC\C=C/C[C@H]1[C@H](CCC1=O)CC(=O)OC CC\C=C/C[C@H]1[C@H](CCC1=O)CC(=O)OC is methyl (+)-7-isojasmonate. It is also related to or classified as methyl ester  . It is also related to or classified as jasmonate ester .
The molecule C(CCCCCCCCCCC(=O)O)(=O)[H] C(CCCCCCCCCCC(=O)O)(=O)[H] is an omega-oxo fatty acid that is dodecanoic acid carrying an oxo group at position 12. Its functional parent is dodecanoic acid . It is a conjugate acid of 12-oxododecanoate .   It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as aldehydic acid , oxo monocarboxylic acid , omega-oxo fatty acid .
The molecule O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C=C(C3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=CC2O)CO O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C=C(C3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=CC2O)CO is Eriodictyol 3'-O-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-16-hydroxyhexadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E)-16-hydroxyhexadec-2-enoic acid . It is a conjugate acid of oscr#27(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule O=C(O[C@H]1[C@@]2([C@@](OC(=O)C)([C@@H](OC(=O)C)[C@H](C1)C(O)(C)C)[C@H](C[C@H]([C@H]2OC(=O)C)O)C)COC(=O)C)C3=CC=CC=C3 O=C(O[C@H]1[C@@]2([C@@](OC(=O)C)([C@@H](OC(=O)C)[C@H](C1)C(O)(C)C)[C@H](C[C@H]([C@H]2OC(=O)C)O)C)COC(=O)C)C3=CC=CC=C3 is 1beta,5alpha,6alpha,14-tetraacetoxy-9alpha-benzoyloxy-7beta H-eudesman-2beta,11-diol. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C(CN(C(/C=C(/CCO)\C)=O)O)C[C@@H](C(=O)OCC/C(/C)=C/C(=O)N(O)CCC[C@@]1(NC([C@](CCCN(C(/C=C(/CCO)\C)=O)O)(NC1=O)[H])=O)[H])N C(CN(C(/C=C(/CCO)\C)=O)O)C[C@@H](C(=O)OCC/C(/C)=C/C(=O)N(O)CCC[C@@]1(NC([C@](CCCN(C(/C=C(/CCO)\C)=O)O)(NC1=O)[H])=O)[H])N is A member of the class of 2,5-diketopiperazines that is 2,5-diketopiperazine which is substituted at positions 3 and 6 by 3-(hydroxyamino)propyl groups in which the nitrogens have been acylated by (2E)-5-hydroxy-3-methylpent-2-enoyl groups. The substituent at position 3 has been further modified by having its terminal hydroxy group esterified by condensation with the carboxy group of N(5)-hydroxy-L-ornithine in which the N(5) nitrogen has been acylated by a (2E)-5-hydroxy-3-methylpent-2-enoyl group. It has the role of siderophore . It is a conjugate acid of desferricoprogen B(3-) . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as primary alcohol  .  It is also related to or classified as carboxylic ester  .  It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as hydroxamic acid , primary amino compound .
The molecule C([C@@H]1[C@H]([C@H](C(O1)NC(=O)CNC=O)O)O)OP(=O)(O)O is a glycinamide ribonucleotide having a phosphate group at the 5-position and a formyl group on the glycine nitrogen. It is a conjugate acid of a N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide(2-).
The molecule ClC(Cl)C(CC(=O)N(C(C(=O)N1C(C=2SC=CN2)CCC1)CC(C(Cl)Cl)C)C)C ClC(Cl)C(CC(=O)N(C(C(=O)N1C(C=2SC=CN2)CCC1)CC(C(Cl)Cl)C)C)C is Dysideaproline A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C2C(O)(C=3C(OC2)=CC(OC)=C(OC)C3)C(=O)C4=C1C=5CC(OC5C=C4)C(COC6OC(C(O)C(O)C6O)CO)=C O1C2C(O)(C=3C(OC2)=CC(OC)=C(OC)C3)C(=O)C4=C1C=5CC(OC5C=C4)C(COC6OC(C(O)C(O)C6O)CO)=C is Dalbinol O-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as rotenoid .
The molecule C(=C\\C(=O)O)\\C=C(/C(=O)[O-])\\[O-] is a dicarboxylic acid dianion comprising cis,cis-muconate substituted at C-2 by a hydroxy group. It is a conjugate base of a (2E,4Z)-2-hydroxymuconic acid.
The molecule [H][C@]12C[C@@]3(C)CC[C@]4(C)CC[C@H](C(C)C)[C@@]4([H])[C@]3([H])[C@@]1([H])C[C@]1(C)[C@@H](C)CC=C21 [H][C@]12C[C@@]3(C)CC[C@]4(C)CC[C@H](C(C)C)[C@@]4([H])[C@]3([H])[C@@]1([H])C[C@]1(C)[C@@H](C)CC=C21 is A sesterterpene produced in the bacterium Streptomyces subrutilus. It has the role of bacterial metabolite .  It is also related to or classified as sesterterpene  . It is also related to or classified as carbopentacyclic compound , polycyclic olefin .
The molecule CCCCCC\C=C/CCCCCCCCCC([O-])=O CCCCCC\C=C/CCCCCCCCCC([O-])=O is A vaccenate(1-) that is the conjugate base of cis-vaccenic acid, arising from deprotonation of the carboxylic acid group. It is also related to or classified as vaccenate(1-)  . It is also related to or classified as octadecenoate  .
The molecule [Na+].CC[O-] [Na+].CC[O-] is an organic monosodium salt that has ethoxide as the counterion. It has the role of nucleophilic reagent . It is also related to or classified as organic sodium salt .
The molecule Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 is A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. It has the role of antineoplastic agent . It has the role of tyrosine kinase inhibitor . It has the role of laxative . It has the role of plant metabolite . Its functional parent is emodin anthrone . It is a conjugate acid of emodin(1-) . It is also related to or classified as trihydroxyanthraquinone .
The molecule [H]C(=CC([H])=C1N(CC)c2cc(Cl)c(Cl)cc2N1CC)c1n(CC)c2cc(Cl)c(Cl)cc2[n+]1CC [H]C(=CC([H])=C1N(CC)c2cc(Cl)c(Cl)cc2N1CC)c1n(CC)c2cc(Cl)c(Cl)cc2[n+]1CC is the cationic form of a C3 cyanine dye having 1,3-diethyl-5,6-dichloroindoleinine units at each end. It has the role of fluorochrome . It is also related to or classified as cyanine dye , indolium ion .
The molecule O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=C(CC=C(C)C)C=CC7C6C5)C)C)O2 O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=C(CC=C(C)C)C=CC7C6C5)C)C)O2 is Tolypocladin K. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 15-hydroxypentadecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 15-hydroxypentadecanoic acid . It is a conjugate acid of oscr#26(1-) . It is also related to or classified as monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule C1(C=2N(C=C(N1C)CCCNC(N)=[NH2+])C=CC2O)=O C1(C=2N(C=C(N1C)CCCNC(N)=[NH2+])C=CC2O)=O is major microspecies at pH 7.3. Its functional parent is peramine(1+) . It is also related to or classified as guanidinium ion  .
The molecule C1=2C(=CC(=CC2C(C=3C(=C(C=C(C3C1=O)O)O)C=4C=5C(C=6C=C(C=C(C6C(C5C(=CC4C)O)=O)O)O)=O)=O)C)O C1=2C(=CC(=CC2C(C=3C(=C(C=C(C3C1=O)O)O)C=4C=5C(C=6C=C(C=C(C6C(C5C(=CC4C)O)=O)O)O)=O)=O)C)O is A member of the class of bianthracenes resulting from the oxidative dimerisation of emodin between position 4 of one molecule and position 5 of the other. Its functional parent is emodin . It is also related to or classified as bianthracenes .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O is conjugate base of D-mannosyl undecaprenyl phosphate. It is also related to or classified as organophosphate oxoanion .