anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Nc1ccc(cc1)N=Nc1ccc(cc1)[N+]([O-])=O Nc1ccc(cc1)N=Nc1ccc(cc1)[N+]([O-])=O is azobenzene substituted at the phenyl 4-positions by an amino and a nitro group. It has the role of dye . It has the role of allergen . Its functional parent is azobenzene . It is also related to or classified as azobenzenes  . It is also related to or classified as primary arylamine  .
The molecule CCCCC\C=C/C\C=C/[C@H](O)[C@H]1O[C@H]1C\C=C/CCCC(O)=O CCCCC\C=C/C\C=C/[C@H](O)[C@H]1O[C@H]1C\C=C/CCCC(O)=O is an epoxy(hydroxy)icosatrienoic acid that is the (8S,9S)-epoxy-(10R)-hydroxy derivative of icosa-(5Z,11Z,14Z)-trienoic acid. It is a conjugate acid of (8S,9S)-epoxy-(10R)-hydroxyicosa-(5Z,11Z,14Z)-trienoate . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
The molecule CCCC[C@@](Cn1cncn1)(C#N)c1ccc(Cl)cc1 CCCC[C@@](Cn1cncn1)(C#N)c1ccc(Cl)cc1 is A 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile that has R configuration. It is also related to or classified as 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile  .
The molecule CCCC[C@](Cn1cncn1)(C#N)c1ccc(Cl)cc1 CCCC[C@](Cn1cncn1)(C#N)c1ccc(Cl)cc1 is A 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile that has S configuration. It is also related to or classified as 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile  .
The molecule CCCCC\C=C/C\C=C/C=C/C(=O)C\C=C/CCCC(O)=O CCCCC\C=C/C\C=C/C=C/C(=O)C\C=C/CCCC(O)=O is an oxoicosatetraenoic acid in which the oxo group is located at position 8 and the four double bonds at position 5, 9, 11 and 14 (the 5Z,9E,11Z,14Z-geoisomer). Its functional parent is icosa-5,9,11,14-tetraenoic acid . It is a conjugate acid of 8-oxo-ETE(1-) . It is also related to or classified as oxoicosatetraenoic acid .
The molecule C=1C(=CC=C(C1)N)C(=C2C=CC(=[NH2+])C=C2)C=3C=CC(=CC3)N C=1C(=CC=C(C1)N)C(=C2C=CC(=[NH2+])C=C2)C=3C=CC(=CC3)N is an iminium ion obtained by protonation of the imino group of pararosaniline free base. It is a conjugate acid of pararosaniline free base . It is also related to or classified as iminium ion .
The molecule CCC(=O)CC(=O)c1c(O)c2C(=O)c3c([O-])cccc3C(=O)c2cc1CC([O-])=O CCC(=O)CC(=O)c1c(O)c2C(=O)c3c([O-])cccc3C(=O)c2cc1CC([O-])=O is A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 5-hydroxy groups of aklanonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as oxo monocarboxylic acid anion , phenolate anion .
The molecule CCC(=O)CC(=O)c1c(O)c2C(=O)c3c([O-])cccc3C(=O)c2cc1CC(=O)OC CCC(=O)CC(=O)c1c(O)c2C(=O)c3c([O-])cccc3C(=O)c2cc1CC(=O)OC is A phenolate anion obtained by deprotonation of 1-hydroxy group of methyl aklanonate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as phenolate anion .
The molecule CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COP(O)(O)=O CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COP(O)(O)=O is A polyprenol phosphate that is the monophosphate derivative of phytol. Its functional parent is phytol . It is a conjugate acid of phytyl phosphate(2-) . It is also related to or classified as polyprenol phosphate .
The molecule CCCCC\C=C/C\C=C/C\C=C/[C@H](O)[C@H]1O[C@H]1CCCC([O-])=O CCCCC\C=C/C\C=C/C\C=C/[C@H](O)[C@H]1O[C@H]1CCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of (7R)-hydroxy-(5S,6S)-epoxy-(8Z,11Z,14Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as icosanoid anion .
The molecule CCCCCCCC[C@H](O)\C=C\CCCCCCC(O)=O CCCCCCCC[C@H](O)\C=C\CCCCCCC(O)=O is A HOME in which the hydroxy group is located at position 10 with the double bond at position 8 (the 8E,10S-isomer). It is a conjugate acid of (8E,10S)-10-hydroxy-8-octadecenoate . It is also related to or classified as HOME .
The molecule CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC is A 1,2-diglyceride in which the 1- and 2-acyl groups are specified as oleoyl and palmitoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is oleic acid . It is also related to or classified as 1,2-diglyceride  .
The molecule COc1cc(C=CC(=O)NCCCCNC(N)=N)ccc1O COc1cc(C=CC(=O)NCCCCNC(N)=N)ccc1O is A member of the class of cinnamamides obtained by formal condensation of the carboxy group of 4-hydroxy-3-methoxycinnamid with the amino group of agmatine. It is also related to or classified as guaiacols  . It is also related to or classified as cinnamamides , guanidines .
The molecule C(CCCCCC)CCC(=O)OCC(CO)OC(CCCCCCC/C=C\CCCCCCCC)=O C(CCCCCC)CCC(=O)OCC(CO)OC(CCCCCCC/C=C\CCCCCCCC)=O is A 1,2-diglyceride in which the acyl groups at positions 1 and 2 are specified as decanoyl and oleoyl respectively. Its functional parent is oleic acid . It is also related to or classified as 1,2-diglyceride  .
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@](C)(O)C(O)=O CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@](C)(O)C(O)=O is the (3R)-diastereomer of citramalyl-CoA. Its functional parent is D-citramalic acid . It is a conjugate acid of (3R)-citramalyl-CoA(5-) . It is also related to or classified as citramalyl-CoA  .
The molecule O[C@H]1COC(O)(C[C@@H]1O)C(O)=O O[C@H]1COC(O)(C[C@@H]1O)C(O)=O is A ketoaldonic acid that is the L-threo-isomer of 3-deoxyhex-2-ulopyranosonic acid. It is a conjugate acid of 3-deoxy-L-threo-hex-2-ulopyranosonate . It is also related to or classified as ketoaldonic acid .
The molecule CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC is A triglyceride in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specified as palmitoyl. Its functional parent is hexadecanoic acid . Its functional parent is oleic acid . It is also related to or classified as triglyceride  .
The molecule O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of procyanidin B1. It has the role of metabolite . Its functional parent is gallic acid . Its functional parent is procyanidin B1 . It is also related to or classified as proanthocyanidin , gallate ester , biflavonoid , polyphenol .
The molecule C\C(=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)=O C\C(=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)=O is an omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the least hindered carboxy group of mesaconic acid. Its functional parent is mesaconic acid . It is a conjugate acid of 3-methylfumaryl-CoA(5-) . It is also related to or classified as omega-carboxyacyl-CoA  .
The molecule CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O is (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate in which both stereocentres have (R)-configuration. Its functional parent is phytol . It is a conjugate acid of phytyl diphosphate(3-) . It is also related to or classified as (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate  .
The molecule CCCCCCCC[C@H](OO)\C=C\CCCCCCC(O)=O CCCCCCCC[C@H](OO)\C=C\CCCCCCC(O)=O is A hydroperoxy fatty acid that is the (10S)-hydroperoxy derivative of (8E)-octadecenoic acid. It is a conjugate acid of (8E,10S)-10-hydroperoxy-8-octadecenoate . It is also related to or classified as hydroperoxyoctadecenoic acid .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC is the R-enantiomer of 1,2-dioleoyl-3-palmitoylglycerol. It has the role of mouse metabolite . It is also related to or classified as triacyl-sn-glycerol  . It is also related to or classified as 1,2-dioleoyl-3-palmitoylglycerol  .
The molecule [NH3+][C@@H](CCC(=O)NO)C([O-])=O [NH3+][C@@H](CCC(=O)NO)C([O-])=O is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of glutamine hydroxamate; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule O[C@@H]1[C@H](Oc2cc(O)cc(O)c2[C@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2[C@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3'R)-hydroxy group of procyanidin B4. It has the role of metabolite . Its functional parent is procyanidin B4 . Its functional parent is gallic acid . It is also related to or classified as proanthocyanidin , gallate ester , biflavonoid , polyphenol .
The molecule O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3'S)-hydroxy group of procyanidin B1. It has the role of metabolite . Its functional parent is gallic acid . Its functional parent is procyanidin B1 . It is also related to or classified as proanthocyanidin , gallate ester , biflavonoid , polyphenol .
The molecule COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC is nifedipine. It has the role of vasodilator agent . It has the role of calcium channel blocker . It has the role of tocolytic agent . It has the role of human metabolite . It is also related to or classified as methyl ester  .  It is also related to or classified as dihydropyridine  . It is also related to or classified as C-nitro compound .
The molecule COC(=O)Cc1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O COC(=O)Cc1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O is A uridine 5'-phosphate that is the 5-(2-methoxy-2-oxoethyl) derivative of uridine 5'-monophosphate. Its functional parent is uridine 5'-monophosphate . It is also related to or classified as methyl ester  . It is also related to or classified as uridine 5'-phosphate .
The molecule O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3'R)-hydroxy group of (-)-epicatechin-(4alpha->8)-(-)-epicatechin. It has the role of metabolite . Its functional parent is gallic acid . Its functional parent is (-)-epicatechin-(4alpha->8)-(-)-epicatechin . It is also related to or classified as proanthocyanidin , gallate ester , biflavonoid , polyphenol .
The molecule O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of procyanidin B4. It has the role of metabolite . Its functional parent is procyanidin B4 . Its functional parent is gallic acid . It is also related to or classified as proanthocyanidin , gallate ester , biflavonoid , polyphenol .
The molecule O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of procyanidin B3. It has the role of metabolite . Its functional parent is gallic acid . Its functional parent is procyanidin B3 . It is also related to or classified as proanthocyanidin , gallate ester , biflavonoid , polyphenol .
The molecule O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a (4alpha->8)-linkage. It has the role of metabolite . Its functional parent is (-)-epicatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(CC(O)=O)c(=O)[nH]c1=O O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(CC(O)=O)c(=O)[nH]c1=O is A uridine phosphate in which the uridine bears an additional carboxymethyl substituent at position 5 and the phosphono group is at the 5'-oxygen. It is also related to or classified as uridine phosphate .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(CC(O)=O)c(=O)[nH]c1=O OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(CC(O)=O)c(=O)[nH]c1=O is uridine bearing an additional carboxymethyl substituent at position 5. It is also related to or classified as uridines .
The molecule O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A proanthocyanidin consisting of (+)-gallocatechin and (-)-epicatechin units joined by a (4alpha->8)-linkage. It has the role of metabolite . Its functional parent is (+)-gallocatechin . Its functional parent is (-)-epicatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A proanthocyanidin consisting of (+)-gallocatechin and (+)-catechin units joined by a (4alpha->8)-linkage. It has the role of metabolite . Its functional parent is (+)-catechin . Its functional parent is (+)-gallocatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A proanthocyanidin consisting of (+)-gallocatechin and (+)-catechin units joined by a (4beta->8)-linkage. It has the role of metabolite . Its functional parent is (+)-catechin . Its functional parent is (+)-gallocatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1 O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1 is A proanthocyanidin consisting of (-)-epicatechin and (-)-epigallocatechin units joined by a (4beta->8)-linkage. It has the role of metabolite . Its functional parent is (-)-epigallocatechin . Its functional parent is (-)-epicatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A proanthocyanidin consisting of (-)-epigallocatechin and (-)-epicatechin units joined by a (4beta->8)-linkage. It has the role of metabolite . Its functional parent is (-)-epigallocatechin . Its functional parent is (-)-epicatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule O[C@H]1Cc2c(O[C@@H]1c1ccc(O)c(O)c1)cc(O)c([C@H]1[C@H](O)[C@H](Oc3cc(O)cc(O)c13)c1cc(O)c(O)c(O)c1)c2O O[C@H]1Cc2c(O[C@@H]1c1ccc(O)c(O)c1)cc(O)c([C@H]1[C@H](O)[C@H](Oc3cc(O)cc(O)c13)c1cc(O)c(O)c(O)c1)c2O is A proanthocyanidin consisting of (+)-gallocatechin and (+)-catechin units joined by a (4alpha->6)-linkage. It has the role of metabolite . Its functional parent is (+)-catechin . Its functional parent is (+)-gallocatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1 O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1 is A proanthocyanidin consisting of (-)-epicatechin and (+)-gallocatechin units joined by a (4beta->8)-linkage. It has the role of metabolite . Its functional parent is (+)-gallocatechin . Its functional parent is (-)-epicatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule O[C@H]1Cc2c(O[C@@H]1c1ccc(O)c(O)c1)cc(O)c([C@@H]1[C@@H](O)[C@H](Oc3cc(O)cc(O)c13)c1cc(O)c(O)c(O)c1)c2O O[C@H]1Cc2c(O[C@@H]1c1ccc(O)c(O)c1)cc(O)c([C@@H]1[C@@H](O)[C@H](Oc3cc(O)cc(O)c13)c1cc(O)c(O)c(O)c1)c2O is A proanthocyanidin consisting of (-)-epigallocatechin and (+)-catechin units joined by a (4alpha->6)-linkage. It has the role of metabolite . Its functional parent is (+)-catechin . Its functional parent is (-)-epigallocatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule O[C@H]1Cc2c(O[C@@H]1c1cc(O)c(O)c(O)c1)cc(O)c([C@H]1[C@H](O)[C@H](Oc3cc(O)cc(O)c13)c1ccc(O)c(O)c1)c2O O[C@H]1Cc2c(O[C@@H]1c1cc(O)c(O)c(O)c1)cc(O)c([C@H]1[C@H](O)[C@H](Oc3cc(O)cc(O)c13)c1ccc(O)c(O)c1)c2O is A proanthocyanidin consisting of (+)-catechin and (+)-gallocatechin units joined by a (4alpha->6)-linkage. It has the role of metabolite . Its functional parent is (+)-catechin . Its functional parent is (+)-gallocatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule [H][C@]12C[C@@]3([H])[C@H](C)C=C(OC)C(=O)[C@]3(C)[C@@]3([H])[C@H](O)[C@@H](OC)[C@@](C)(O)[C@]([H])(CC(O)O1)[C@]23C [H][C@]12C[C@@]3([H])[C@H](C)C=C(OC)C(=O)[C@]3(C)[C@@]3([H])[C@H](O)[C@@H](OC)[C@@](C)(O)[C@]([H])(CC(O)O1)[C@]23C is A  quassinoid  that is picras-2-ene substituted by hydroxy groups at positions 11, 13 and 16, methoxy groups at positions 2 and 12 and an oxo group at position 1 (the 11alpha,12beta stereoisomer). It has the role of antifeedant . It is also related to or classified as lactol  . It is also related to or classified as organic heterotetracyclic compound , quassinoid .
The molecule O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1 O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1 is A proanthocyanidin consisting of (+)-catechin and (-)-epigallocatechin units joined by a (4alpha->8)-linkage. It has the role of metabolite . Its functional parent is (+)-catechin . Its functional parent is (-)-epigallocatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O is an anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue. It has the role of metabolite . Its functional parent is delphinidin . Its functional parent is trans-4-coumaric acid . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as anthocyanin cation  . It is also related to or classified as polyphenol , cinnamate ester .
The molecule N[C@@H]([C@H]1CCNC(=N)N1)C(O)=O N[C@@H]([C@H]1CCNC(=N)N1)C(O)=O is an L-alpha-amino acid obtained by enzyme-mediated intramolecular cyclisation of L-arginine. It has the role of metabolite . It is also related to or classified as guanidines , pyrimidines , non-proteinogenic L-alpha-amino acid , L-arginine derivative .
The molecule [NH3+][C@@H]([C@H]1CCNC(=[NH2+])N1)C([O-])=O [NH3+][C@@H]([C@H]1CCNC(=[NH2+])N1)C([O-])=O is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of (2S,3R)-capreomycidine. It is a conjugate acid of (2S,3R)-capreomycidine . It is also related to or classified as alpha-amino-acid cation .
The molecule O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of procyanidin B2. It has the role of metabolite . Its functional parent is gallic acid . Its functional parent is procyanidin B2 . It is also related to or classified as proanthocyanidin , gallate ester , biflavonoid , polyphenol .
The molecule CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O is an anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-acetyl-beta-D-glucosyl residue. It has the role of metabolite . Its functional parent is delphinidin . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as anthocyanin cation  .
The molecule O[C@@H]1[C@H](Oc2cc(O)cc(O)c2[C@H]1c1c(O)cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2[C@H]1c1c(O)cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3'S)-hydroxy group of procyanidin B3. It has the role of metabolite . Its functional parent is gallic acid . Its functional parent is procyanidin B3 . It is also related to or classified as proanthocyanidin , gallate ester , biflavonoid , polyphenol .
The molecule O[C@@H]1[C@@H](COC(=O)\C=C/c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O O[C@@H]1[C@@H](COC(=O)\C=C/c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O is an anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-beta-D-glucosyl residue. It has the role of metabolite . Its functional parent is cis-4-coumaric acid . Its functional parent is delphinidin . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as anthocyanin cation  . It is also related to or classified as polyphenol , cinnamate ester .
The molecule CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC is A triglyceride in which the 1- and 3-acyl groups are palmitoyl while that at position 2 is oleoyl. Its functional parent is hexadecanoic acid . Its functional parent is oleic acid . It is also related to or classified as triacylglycerol 50:1  .