anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O is an oligonucleotide comprised of four thymidine residues connected via 3'->5' phosphodiester linkages. It has the role of epitope . It is also related to or classified as oligonucleotide  .
The molecule CC\C=C/C\C=C/C[C@H](OO)\C=C\CCCCCCC(O)=O CC\C=C/C\C=C/C[C@H](OO)\C=C\CCCCCCC(O)=O is A hydroperoxy fatty acid obtained by the formal substitution of a hydrogen at position 10 of (8E,12Z,15Z)-octadeca-10,12,15-trienoic acid by a hydroperoxy group (the 10S stereoisomer). It is a conjugate acid of (8E,10S,12Z,15Z)-10-hydroperoxyoctadec-8,12,15-trienoate . It is also related to or classified as hydroperoxy polyunsaturated fatty acid  . It is also related to or classified as monocarboxylic acid .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O is an oligonucleotide comprised of eight thymidine residues connected via 3'->5' phosphodiester linkages. It has the role of epitope . It is also related to or classified as oligonucleotide  .
The molecule CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)CO CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)CO is A 1-monoglyceride that has alpha-linolenoyl as the acyl group. Its functional parent is alpha-linolenic acid . It is also related to or classified as 1-monoglyceride  .
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](O)CO CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](O)CO is A 3-acyl-sn-glycerol that is the R-enantiomer of 1-monolinolein. It is also related to or classified as 3-acyl-sn-glycerol  . It is also related to or classified as 1-monolinolein  .
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)c1ccc(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)c1ccc(O)c(O)c1)c2O is A proanthocyanidin  consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 6' in beta-configuration. It can be found in grape seeds, in Hibiscus cannabinus (kenaf) root and bark, in apple and in cacao. 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]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)c1ccc(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)c1ccc(O)c(O)c1)c2O is A proanthocyanidin consisting of two molecules of (+)-catechin joined by a bond between positions 4 and 6' in alpha-configuration. Procyanidin B6 is isolated from leaves and fruit of cowberry Vaccinium vitis-idaea and other plants. It can also be found in grape seeds and in beer. It has the role of metabolite . Its functional parent is (+)-catechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A 1,2-diglyceride where linoleoyl and oleoyl are the two acyl groups. Its functional parent is oleic acid . Its functional parent is linoleic acid . It is also related to or classified as 1,2-diglyceride  .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCCCCC\C=C/CCCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCCCCC\C=C/CCCCCC is A wax ester obtained by the formal condensation of hexadecen-1-ol with  oleic acid. Its functional parent is oleic acid . Its functional parent is palmitoleyl alcohol . It is also related to or classified as wax ester  .
The molecule CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC is A wax ester resulting from the formal condensation of both the hydroxy groups of  hexadecane-1,2-diol with two molecules of  palmitic acid. Its functional parent is hexadecanoic acid . Its functional parent is 1,2-hexadecanediol . It is also related to or classified as wax ester  . It is also related to or classified as hexadecanoate ester  .
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)c1ccc(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)c1ccc(O)c(O)c1)c2O is A proanthocyanidin that is (+)-catechin and (-)-epicatechin units joined by a bond between positions 4 and 6' respectively in an alpha-configuration. Procyanidin B8 is found in acorn and is present in fruit and leaves of blackberry (Rubus fruticosus), raspberry (Rubus idaeus) and cowberry (Vaccinium vitis idaea). It can be also found in grape seeds and in beer. It has the role of metabolite . Its functional parent is (+)-catechin . Its functional parent is (-)-epicatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC is A wax ester obtained by the formal condensation of hexadecan-1-ol with oleic acid. Its functional parent is hexadecan-1-ol . Its functional parent is oleic acid . It is also related to or classified as wax ester  .
The molecule CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC is A wax ester obtained by the formal condensation of oleic acid with stearyl alcohol. Its functional parent is oleic acid . Its functional parent is octadecan-1-ol . It is also related to or classified as wax ester 36:1  .
The molecule CCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC is A wax ester obtained by the formal condensation of the carboxy group of oleic acid with the hydroxy group of decanol. Its functional parent is oleic acid . Its functional parent is decan-1-ol . It is also related to or classified as wax ester  .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A 1,2-diglyceride where arachidonoyl and oleoyl are the two acyl groups. Its functional parent is arachidonic acid . Its functional parent is oleic acid . It is also related to or classified as 1,2-diglyceride  .
The molecule CCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC is A wax ester obtained by the formal condensation of oleic acid and oleyl alcohol. Its functional parent is oleic acid . Its functional parent is (9Z)-octadecen-1-ol . It is also related to or classified as wax ester  .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC is A 1,2-diglyceride with linolenoyl and oleoyl as the two acyl groups. Its functional parent is oleic acid . Its functional parent is alpha-linolenic acid . It is also related to or classified as 1,2-diglyceride  .
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 bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine. It has the role of antioxidant . 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 C(CCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCC)=O)C C(CCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCC)=O)C is A  wax ester obtained by the formal condensation of palmityl alcohol with stearic acid. Its functional parent is hexadecan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as octadecanoate ester  .
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 (+)-catechin joined by a bond between positions 4 and 8' in alpha-configuration. It can be found in red wine, in barley, in beer, in peach or in Jatropha macrantha, the Huanarpo Macho. It has the role of antioxidant . It has the role of metabolite . It has the role of anti-inflammatory agent . It has the role of EC 2.3.1.48 (histone acetyltransferase) inhibitor . Its functional parent is (+)-catechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , polyphenol .
The molecule CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC is A wax ester obtained by the formal condensation of icosan-1-ol with oleic acid. Its functional parent is oleic acid . Its functional parent is icosan-1-ol . It is also related to or classified as wax ester  .
The molecule CCCCCCCCCCCCCCCCCCCCO CCCCCCCCCCCCCCCCCCCCO is A long-chain primary fatty alcohol that is icosane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. It has the role of volatile oil component . It has the role of plant metabolite . It has the role of human metabolite .  It is also related to or classified as long-chain primary fatty alcohol  . It is also related to or classified as icosanol .
The molecule [H][C@]1(O[C@H](C)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](CO[C@@]1([H])O[C@H]1CC[C@]2(C)C3=C[C@H](O)C45C(=O)O[C@@](C)(CCC(O)C(C)C)[C@@]4(O)CC[C@@]5(C)[C@]3([H])CC[C@@]2([H])C1(C)C)OS(O)(=O)=O [H][C@]1(O[C@H](C)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](CO[C@@]1([H])O[C@H]1CC[C@]2(C)C3=C[C@H](O)C45C(=O)O[C@@](C)(CCC(O)C(C)C)[C@@]4(O)CC[C@@]5(C)[C@]3([H])CC[C@@]2([H])C1(C)C)OS(O)(=O)=O is A triterpenoid saponin that is a tetrasaccharide derivative of 3,12,17,24-tetrahydroxy-18,20-epoxylanost-9(11)-en-18-one. It is a conjugate acid of holothurin A4(1-) . It is also related to or classified as heterocyclyl sulfate , triterpenoid saponin , tetrasaccharide derivative .
The molecule OC(=O)CNC(=O)c1cccnc1 OC(=O)CNC(=O)c1cccnc1 is an N-acylglycine having nicotinoyl as the acyl substituent. It has the role of human urinary metabolite . It is also related to or classified as N-acylglycine  .
The molecule O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(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](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A proanthocyanidin consisting of three (-)-epicatechin units joined by two successive (4beta->8)-linkages. It has the role of antioxidant . It has the role of metabolite . It has the role of EC 1.17.3.2 (xanthine oxidase) inhibitor . It has the role of lipoxygenase inhibitor . It has the role of anti-inflammatory agent . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . Its functional parent is (-)-epicatechin . It is also related to or classified as proanthocyanidin , hydroxyflavan , polyphenol .
The molecule O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4c([C@H]5[C@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(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](Oc4c([C@H]5[C@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 is A proanthocyanidin consisting of three (+)-catechin trimer joined by two successive (4alpha->8)-linkages. It has the role of antioxidant . It has the role of metabolite . Its functional parent is (+)-catechin . It is also related to or classified as proanthocyanidin , hydroxyflavan , polyphenol .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) where the acyl groups at positions 1 and 2 are stearoyl and arachidonoyl respectively. Its functional parent is arachidonic acid . Its functional parent is octadecanoic acid . It is a conjugate acid of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)  .
The molecule CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC is A wax ester obtained by the formal condensation of  hexadecan-1-ol with  palmitoleic acid. Its functional parent is hexadecan-1-ol . Its functional parent is palmitoleic acid . It is also related to or classified as wax ester  .
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 (-)-epicatechin and (+)-catechin units joined by a bond between positions 4 and 8' respectively  in a beta-configuration. Procyanidin B1 can be found in Cinnamomum verum (Ceylon cinnamon, in the rind, bark or cortex), in Uncaria guianensis (cat's claw, in the root), and in Vitis vinifera (common grape vine, in the leaf) or in peach. It has the role of metabolite . It has the role of EC 3.4.21.5 (thrombin) inhibitor . It has the role of anti-inflammatory agent . Its functional parent is (+)-catechin . Its functional parent is (-)-epicatechin . It is also related to or classified as proanthocyanidin , biflavonoid , hydroxyflavan , 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 acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of 3-methylfumaroyl-CoA. It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-)  . It is also related to or classified as omega-carboxyacyl-CoA(5-)  .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as stearoyl and linoleoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is linoleic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .
The molecule Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[NH+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[NH+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C is an organic cation obtained by protonation of the tertiary amino group of nelfinavir. It is a conjugate acid of nelfinavir . It is also related to or classified as organic cation , ammonium ion derivative .
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](Oc3c([C@@H]4[C@@H](O)[C@H](Oc5cc(O)cc(O)c45)c4ccc(O)c(O)c4)c(O)cc(O)c13)c1ccc(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](Oc3c([C@@H]4[C@@H](O)[C@H](Oc5cc(O)cc(O)c45)c4ccc(O)c(O)c4)c(O)cc(O)c13)c1ccc(O)c(O)c1)c2O is A proanthocyanidin consisting of two (-)-epicatechin and one (+)-catechin units joined in sequence by (4beta->8)- and (4beta->6)-linkages. It has the role of metabolite . Its functional parent is (+)-catechin . Its functional parent is (-)-epicatechin . It is also related to or classified as proanthocyanidin , hydroxyflavan , polyphenol .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCCN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCCN is A 1-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as stearoyl. It has the role of human metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as lysophosphatidylethanolamine 18:0  .
The molecule CCCCC\C=C/C\C=C/CCCCCCCCCCCC([O-])=O CCCCC\C=C/C\C=C/CCCCCCCCCCCC([O-])=O is A long-chain unsaturated fatty acid anion that is the conjugate base of (13Z,16Z)-docosadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as docosadienoate  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as polyunsaturated fatty acid anion .
The molecule CC(=C)[C@@H]1CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C1 CC(=C)[C@@H]1CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C1 is A fourteen-membered macrocyclic diterpene consisting of 1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9. It has the role of animal metabolite . It has the role of coral metabolite . It has the role of plant metabolite . It has the role of bacterial metabolite . It is also related to or classified as diterpene  . It is also related to or classified as cycloalkatriene  . It is also related to or classified as macrocycle  .
The molecule [H][C@]1(O[C@H](C)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](CO[C@@]1([H])O[C@H]1CC[C@]2(C)C3=C[C@H](O)C45C(=O)O[C@@](C)(C(=O)CCC(C)(C)O)[C@@]4(O)CC[C@@]5(C)[C@]3([H])CC[C@@]2([H])C1(C)C)OS(O)(=O)=O [H][C@]1(O[C@H](C)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](CO[C@@]1([H])O[C@H]1CC[C@]2(C)C3=C[C@H](O)C45C(=O)O[C@@](C)(C(=O)CCC(C)(C)O)[C@@]4(O)CC[C@@]5(C)[C@]3([H])CC[C@@]2([H])C1(C)C)OS(O)(=O)=O is A triterpenoid saponin that is a  tetrasaccharide derivative of 3,12,17,25-tetrahydroxy-18,20-epoxylanost-9(11)-ene-18,22-dione. It is a conjugate acid of holothurin A3(1-) . It is also related to or classified as heterocyclyl sulfate , triterpenoid saponin , tetrasaccharide derivative .
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 an acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of (3R)-citramalyl-CoA. It is also related to or classified as citramalyl-CoA(5-)  .
The molecule CCCCC\C=C/C[C@@H]1O[C@H]1[C@H](O)\C=C/C\C=C/CCCC(O)=O CCCCC\C=C/C[C@@H]1O[C@H]1[C@H](O)\C=C/C\C=C/CCCC(O)=O is an epoxy(hydroxy)icosatrienoic acid consisting of (5Z,8Z,14Z)-icosa-5,9,14-trienoic acid having additional (10R)-hydroxy- and (11S,12S)-epoxy groups. Its functional parent is all-cis-icosa-5,8,14-trienoic acid . It is a conjugate acid of (10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z)-trienoate . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
The molecule CCCCC\C=C/C[C@@H]1O[C@H]1\C=C\[C@H](O)C\C=C/CCCC(O)=O CCCCC\C=C/C[C@@H]1O[C@H]1\C=C\[C@H](O)C\C=C/CCCC(O)=O is an epoxy(hydroxy)icosatrienoic acid consisting of (5Z,9E,14Z)-icosa-5,9,14-trienoic acid having additional (8R)-hydroxy- and (11S,12S)-epoxy groups. Its functional parent is (5Z,9E,14Z)-icosa-5,9,14-trienoic acid . It is a conjugate acid of (8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoate . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
The molecule CCCCC\C=C/C[C@H]1O[C@@H]1\C=C\[C@H](O)C\C=C/CCCC(O)=O CCCCC\C=C/C[C@H]1O[C@@H]1\C=C\[C@H](O)C\C=C/CCCC(O)=O is an epoxy(hydroxy)icosatrienoic acid consisting of (5Z,9E,14Z)-icosa-5,9,14-trienoic acid having additional (8R)-hydroxy- and (11R,12R)-epoxy groups. Its functional parent is (5Z,9E,14Z)-icosa-5,9,14-trienoic acid . It is a conjugate acid of (8R)-hydroxy-(11R,12R)-epoxyicosa-(5Z,9E,14Z)-trienoate . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
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 B2. It has the role of antioxidant . 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 C[C@H](Oc1ccc(Cl)cc1C)C(O)=O C[C@H](Oc1ccc(Cl)cc1C)C(O)=O is the (S)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the inactive stereoisomer of the racemic herbicide mecoprop. It is a conjugate acid of (S)-2-(4-chloro-2-methylphenoxy)propanoate . It is also related to or classified as 2-(4-chloro-2-methylphenoxy)propanoic acid  .
The molecule CCCCC[C@@H]1O[C@H]1[C@H](O)\C=C/C\C=C/C\C=C/CCCC(O)=O CCCCC[C@@H]1O[C@H]1[C@H](O)\C=C/C\C=C/C\C=C/CCCC(O)=O is an epoxy(hydroxy)icosatrienoic acid consisting of (5Z,8Z,11Z)-icosa-5,9,14-trienoic acid having additional (13R)-hydroxy- and (14S,15S)-epoxy groups. Its functional parent is (5Z,8Z,11Z)-icosatrienoic acid . It is a conjugate acid of (13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoate . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
The molecule CCCCCC\C=C/CCCCCCCCO CCCCCC\C=C/CCCCCCCCO is A member of the class of hexadecen-1-ols that is hexadecanol containing a double bond located at position 9 (the Z-geoisomer). It has the role of epitope . It is also related to or classified as hexadecen-1-ol .
The molecule C[C@@H](Oc1ccc(Cl)cc1C)C(O)=O C[C@@H](Oc1ccc(Cl)cc1C)C(O)=O is the (R)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the active stereoisomer of the racemic herbicide mecoprop. It has the role of phenoxy herbicide . It is a conjugate acid of (R)-2-(4-chloro-2-methylphenoxy)propanoate . It is also related to or classified as 2-(4-chloro-2-methylphenoxy)propanoic acid  .
The molecule CC[C@@]1(O)CC(=O)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC CC[C@@]1(O)CC(=O)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC is A phenolate anion obtained by deprotonation of 5-hydroxy group of aklaviketone. 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 .