anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]12CC[C@](O)(C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O [H][C@@]12CC[C@](O)(C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O is A steroid aldehyde that is cortisol carrying a formyl group at position 18. It has the role of human urinary metabolite . Its functional parent is cortisol .  It is also related to or classified as 17alpha-hydroxy-C21-steroid  . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .    It is also related to or classified as 11beta-hydroxy steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as steroid aldehyde , glucocorticoid , mineralocorticoid , 21-hydroxy steroid , 20-oxo steroid .
The molecule CC(=C)C1Cc2c(O1)cc(O)c1c2n(C)c2ccccc2c1=O CC(=C)C1Cc2c(O1)cc(O)c1c2n(C)c2ccccc2c1=O is Rutacridone. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule CCCCCC1=CC=CO1 CCCCCC1=CC=CO1 is A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks. It has the role of plant growth stimulator . It has the role of volatile oil component . It has the role of flavouring agent . It has the role of insect repellent . It has the role of Aspergillus metabolite . It has the role of bacterial metabolite . It has the role of human urinary metabolite . It is also related to or classified as furans .
The molecule C(C/C=C\CCCCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O C(C/C=C\CCCCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O is A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (8Z,11Z,14Z,17Z)-icosatetraenoyl and (11Z)-icosenoyl respectively. It has the role of human metabolite . Its functional parent is (11Z)-icos-11-enoic acid . Its functional parent is all-cis-8,11,14,17-icosatetraenoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  .
The molecule C(CCCCCC(O[C@@H](CO)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)CCC/C=C\CCCCCCCC C(CCCCCC(O[C@@H](CO)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)CCC/C=C\CCCCCCCC is A 1,2-diacyl-sn-glycerol in which the acyl groups positions 1 and 2 are specified as alpha-linolenoyl and (11Z)-icosenoyl respectively. It has the role of human blood serum metabolite . Its functional parent is alpha-linolenic acid . Its functional parent is (11Z)-icos-11-enoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 38:4  .
The molecule C(CCCCCC(O[C@@H](CO)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)CCCCCCCCCCCCC C(CCCCCC(O[C@@H](CO)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)CCCCCCCCCCCCC is A 1,2-diacyl-sn-glycerol in which the acyl groups positions 1 and 2 are specified as alpha-linolenoyl and icosanoyl (arachidoyl) respectively. It has the role of human blood serum metabolite . Its functional parent is alpha-linolenic acid . Its functional parent is icosanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 38:3  .
The molecule C(CCCCCC(O[C@@H](CO)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)/C=C\C/C=C\C/C=C\CCCCC C(CCCCCC(O[C@@H](CO)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)/C=C\C/C=C\C/C=C\CCCCC is A 1,2-diacyl-sn-glycerol in which the acyl groups positions 1 and 2 are specified as alpha-linolenoyl and (8Z,11Z,14Z)-icosatrienoyl respectively. It has the role of human blood serum metabolite . Its functional parent is alpha-linolenic acid . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 38:6  .
The molecule Cn1c2ccccc2c(=O)c2c(O)cc3OC(Cc3c12)C1(C)CO1 Cn1c2ccccc2c(=O)c2c(O)cc3OC(Cc3c12)C1(C)CO1 is Rutacridone epoxide. Its functional parent is acridone . It is also related to or classified as acridines , alkaloid antibiotic .
The molecule C(\CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)=C\C/C=C\CCC C(\CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)=C\C/C=C\CCC is A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (10Z,13Z,16Z)-docosatrienoyl and (9Z,12Z)-hexadecadienoyl respectively. It has the role of human metabolite . Its functional parent is (9Z,12Z)-hexadecadienoic acid . Its functional parent is (10Z,13Z,16Z)-docosatrienoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  .
The molecule C(CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)CCCCCCC C(CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)CCCCCCC is A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (13Z,16Z)-docosadienoyl and hexadecanoyl respectively. It has the role of human metabolite . Its functional parent is hexadecanoic acid . Its functional parent is (13Z,16Z)-docosadienoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  .
The molecule C(CCCCCCCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O C(CCCCCCCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O is A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (8Z,11Z,14Z,17Z)-icosatetraenoyl and arachidoyl (icosanoyl) respectively. It has the role of human metabolite . Its functional parent is icosanoic acid . Its functional parent is all-cis-8,11,14,17-icosatetraenoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  .
The molecule C=C(C)C1=CC=C(C)CC1 C=C(C)C1=CC=C(C)CC1 is A monoterpene that is cyclohexa-1,3-diene substituted at positions 1 and 4 by methyl and prop-1-en-2-yl groups respectively. It has the role of volatile oil component . It has the role of plant metabolite . It has the role of human xenobiotic metabolite . Its functional parent is p-menthane . It is also related to or classified as monoterpene  . It is also related to or classified as cyclohexadiene  .
The molecule C(CCC(O[C@@H](CO)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)/C=C\C/C=C\C/C=C\CCCCCCCC C(CCC(O[C@@H](CO)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)/C=C\C/C=C\C/C=C\CCCCCCCC is A 1,2-diacyl-sn-glycerol in which the acyl groups positions 1 and 2 are specified as alpha-linolenoyl and (5Z,8Z,11Z)-icosatrienoyl respectively. It has the role of human blood serum metabolite . Its functional parent is alpha-linolenic acid . Its functional parent is (5Z,8Z,11Z)-icosatrienoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 38:6  .
The molecule C(CCCCCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O C(CCCCCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O is A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (8Z,11Z,14Z,17Z)-icosatetraenoyl and octadecanoyl respectively. It has the role of human metabolite . Its functional parent is octadecanoic acid . Its functional parent is all-cis-8,11,14,17-icosatetraenoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  .
The molecule C(CCCCCC(O[C@@H](CO)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)CCC/C=C\C/C=C\CCCCC C(CCCCCC(O[C@@H](CO)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)=O)CCC/C=C\C/C=C\CCCCC is A 1,2-diacyl-sn-glycerol in which the acyl groups positions 1 and 2 are specified as alpha-linolenoyl and (11Z,14Z)-icosadienoyl respectively. It has the role of human blood serum metabolite . Its functional parent is alpha-linolenic acid . Its functional parent is (11Z,14Z)-icosadienoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 38:5  .
The molecule CC(C)[C@@]1(O)[C@@H](OC(=O)C2=CC=CN2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C CC(C)[C@@]1(O)[C@@H](OC(=O)C2=CC=CN2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C is an insecticide alkaloid isolated from South American plant Ryania speciosa. It has the role of phytogenic insecticide . It has the role of ryanodine receptor modulator . It is also related to or classified as alkaloid  . It is also related to or classified as cyclic hemiketal .
The molecule C(\CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)=C\C/C=C\CCCCC C(\CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)=C\C/C=C\CCCCC is A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (13Z,16Z)-docosadienoyl and linoleoyl respectively. It has the role of human metabolite . Its functional parent is linoleic acid . Its functional parent is (13Z,16Z)-docosadienoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  .
The molecule CSC1=CC=C(C)O1 CSC1=CC=C(C)O1 is A member of the class of furans that is furan substituted by methyl and methylsulfanyl groups at positions 2 and 5, respectively. It is a metabolite found in coffee and human urine. It has the role of flavouring agent . It has the role of plant metabolite . It has the role of human urinary metabolite .  It is also related to or classified as methyl sulfide  . It is also related to or classified as furans .
The molecule C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O is Glyceric acid 1,3-biphosphate. It is also related to or classified as acyclic mixed acid anhydride .
The molecule C1CC(OC1CC=2C=C(C(=CC2)O)OC3C(C(C(C(C3C(O)=O)O)O)O)O)=O C1CC(OC1CC=2C=C(C(=CC2)O)OC3C(C(C(C(C3C(O)=O)O)O)O)O)=O is 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C(\CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)=C\C/C=C\CCCCC C(\CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)=C\C/C=C\CCCCC is A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (10Z,13Z,16Z)-docosatrienoyl and linoleoyl  respectively. It has the role of human metabolite . Its functional parent is linoleic acid . Its functional parent is (10Z,13Z,16Z)-docosatrienoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  .
The molecule C(C/C=C\CCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O C(C/C=C\CCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O is A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (8Z,11Z,14Z,17Z)-icosatetraenoyl and (11Z)-octadecenoyl respectively. It has the role of human metabolite . Its functional parent is cis-vaccenic acid . Its functional parent is all-cis-8,11,14,17-icosatetraenoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  .
The molecule C1CC2=C(CC1)C(N(C2=O)C3=CC4=C(C=C3F)OCC(N4CC#C)=O)=O C1CC2=C(CC1)C(N(C2=O)C3=CC4=C(C=C3F)OCC(N4CC#C)=O)=O is A benzoxazine that is N-(prop-2-yn-1-yl)-2H-1,4-benzoxazin-3(4H)-one which is substituted at position 6 by a 1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl group and at position 7 by a fluorine. A protoporphyrinogen oxidase inhibitor, it is used for the control of weeds in soya, peanuts, and a variety of vegetable and fruit crops. It has the role of herbicide . It has the role of agrochemical . It has the role of teratogenic agent . It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor . It is also related to or classified as dicarboximide  . It is also related to or classified as organofluorine compound  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as benzoxazine .
The molecule C1=C(C(=CC=C1CCOC(C[C@@H]/2C(=CO[C@H](\C2=C/C)O)C(OC)=O)=O)O)O C1=C(C(=CC=C1CCOC(C[C@@H]/2C(=CO[C@H](\C2=C/C)O)C(OC)=O)=O)O)O is 3,4-DHPEA-EA. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule C1=C2C(CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@@]32[H])C)O)[H])[H])=CC(=C1O)OC C1=C2C(CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@@]32[H])C)O)[H])[H])=CC(=C1O)OC is A 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 2 has been replaced by a hydroxy group and the phenolic hydrogen at position 3 has bee replaced by a methyl group. It has the role of human urinary metabolite . Its functional parent is 17beta-estradiol .  It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as C19-steroid , aromatic ether , 2-hydroxy steroid .
The molecule C=1(C(=CC(=CC1C)C)C)C(C)CC(C)C C=1(C(=CC(=CC1C)C)C)C(C)CC(C)C is Benzylalcohol alpha-isobutyl-2,4,6-trimethyl(1-mestyl-3-methyl-1-butanol). It is also related to or classified as arene  . It is also related to or classified as terpene  .
The molecule C(CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)CCCCCCC C(CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)CCCCCCC is A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (10Z,13Z,16Z)-docosatrienoyl and hexadecanoyl respectively. It has the role of human metabolite . Its functional parent is hexadecanoic acid . Its functional parent is (10Z,13Z,16Z)-docosatrienoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  .
The molecule C([C@@](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C C([C@@](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C is PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)). It is also related to or classified as 1-alpha-linolenoyl-2-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule [C@@]12(CC[C@@H](C[C@@]1(CC[C@@]3([C@@]2(CC[C@]4([C@]3(CC[C@@]4([C@@](CC[C@H](C(C)C)CC)(C)[H])[H])[H])C)[H])[H])[H])O)C [C@@]12(CC[C@@H](C[C@@]1(CC[C@@]3([C@@]2(CC[C@]4([C@]3(CC[C@@]4([C@@](CC[C@H](C(C)C)CC)(C)[H])[H])[H])C)[H])[H])[H])O)C is A 3-hydroxy steroid that is 5alpha-stigmastane which is substituted at the 3beta position by a hydroxy group. It has the role of anticholesteremic drug . It has the role of plant metabolite . It is also related to or classified as phytosterols , 3-hydroxy steroid .
The molecule Clc1ccc(cc1)C(=O)n1c(Br)nc(Br)c1Br Clc1ccc(cc1)C(=O)n1c(Br)nc(Br)c1Br is 2,4,5-Tribromo-1-(4-chlorobenzoyl)imidazole. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule N(CCCS(C)=O)=C=S N(CCCS(C)=O)=C=S is an isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group. A glucosinolate hydrolysis product found in many members of the Brassicaceae family, it is a quorum-sensing inhibitor (QSI) of the bacterial pathogen Pseudomonas aeruginosa. It has the role of quorum sensing inhibitor . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as sulfoxide  . It is also related to or classified as isothiocyanate  .
The molecule O=C(CCC)CCC O=C(CCC)CCC is A dialkyl ketone that is heptane in which the two methylene protons at position 4 have been replaced by an oxo group. It has the role of biomarker . It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . It has the role of rat metabolite . It is also related to or classified as dialkyl ketone  .
The molecule C=1C(=C(C(=C[N+]1CCCC[C@@H](C(=O)O)N)O)C[C@@H](C(=O)O)N)CC[C@@H](C(=O)[O-])N C=1C(=C(C(=C[N+]1CCCC[C@@H](C(=O)O)N)O)C[C@@H](C(=O)O)N)CC[C@@H](C(=O)[O-])N is Deoxypyridinoline. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC(=O)C1CSCC(=N1)C(O)=O OC(=O)C1CSCC(=N1)C(O)=O is A member of the class of 1,4-thiazines that is 3,6-dihydro-2H-1,4-thiazine substituted by carboxy groups at positions 3 and 5. It is a natural but non-proteogenic amino acid found in human urine and brain. It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of human urinary metabolite . It is also related to or classified as sulfur-containing amino acid , dicarboxylic acid , 1,4-thiazine .
The molecule OC=1C(C[C@@H](N)C(O)=O)=CC=CC1 OC=1C(C[C@@H](N)C(O)=O)=CC=CC1 is A 2-hydroxyphenylalanine that has D-configuration. It has the role of human metabolite . It is also related to or classified as 2-hydroxyphenylalanine  .
The molecule OC=1C(C[C@H](N)C(O)=O)=CC=CC1 OC=1C(C[C@H](N)C(O)=O)=CC=CC1 is A 2-hydroxyphenylalanine that has L-configuration. It has the role of human metabolite . It is also related to or classified as 2-hydroxyphenylalanine  .
The molecule CC/C=C/C/C=C/C=C/C(CCCCCCCC(=O)O)O CC/C=C/C/C=C/C=C/C(CCCCCCCC(=O)O)O is (9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid. It is also related to or classified as hydroxy fatty acid , octadecatrienoic acid , hydroxy monocarboxylic acid .
The molecule C([C@@](COC(CCCCCCCCC/C=C\CCCCCC)=O)(OC(CCCCCCC/C=C\CCCCCCCC)=O)[H])OP(O)(=O)O C([C@@](COC(CCCCCCCCC/C=C\CCCCCC)=O)(OC(CCCCCCC/C=C\CCCCCCCC)=O)[H])OP(O)(=O)O is PA(18:1(11Z)/18:1(9Z)). It is also related to or classified as phosphatidic acid 36:2  . It is also related to or classified as phosphatidic acid  .
The molecule CC1=CSC=C1C CC1=CSC=C1C is A thiophene that is substituted by methyl groups at positions 3 and 4. It has the role of flavouring agent . It has the role of plant metabolite . It has the role of human urinary metabolite . It is also related to or classified as thiophenes .
The molecule [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C is A 18-hydroxy steroid that is cortisol carrying a hydroxy group at position 18. Its urinary excretion is increased in patients with aldosterone-producing adenoma. It has the role of human urinary metabolite . Its functional parent is cortisol . It is also related to or classified as 17alpha-hydroxy-C21-steroid  . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .   It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as glucocorticoid , 21-hydroxy steroid , 18-hydroxy steroid , 20-oxo steroid .
The molecule CCCCCC(=O)OCCCC CCCCCC(=O)OCCCC is A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with butan-1-ol. It is a volatile compound found in apples and peaches. It has the role of insect attractant . It has the role of flavouring agent . It has the role of plant metabolite . It has the role of human metabolite . Its functional parent is butan-1-ol .  It is also related to or classified as hexanoate ester  . It is also related to or classified as volatile organic compound .
The molecule CC1=CC(C)=CO1 CC1=CC(C)=CO1 is A member of the class of furans that is furan in which the hydrogens at positions 2 and 4 are replaced by methyl groups. It has the role of flavouring agent . It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as furans .
The molecule C(CC/C(=C/CC=1C(C=2C=CC=CC2C(C1C)=O)=O)/C)(=O)O C(CC/C(=C/CC=1C(C=2C=CC=CC2C(C1C)=O)=O)/C)(=O)O is A member of the class of naphthoquinones that is 2-methyl-1,4-naphthoquinone which is substituted at position 3 by a (2E)-5-carboxy-3-methylpent-2-en-1-yl group. A urinary metabolite of vitamin K1. It has the role of human urinary metabolite . It is also related to or classified as 1,4-naphthoquinones , monocarboxylic acid .
The molecule C([C@@](COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C C([C@@](COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C is PC(18:2(9Z,12Z)/16:1(9Z)). It is also related to or classified as PC(18:2/16:1)  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule C=1(C=CC(=CC1O)OC)C(OS(=O)(=O)O)O C=1(C=CC(=CC1O)OC)C(OS(=O)(=O)O)O is Hydroxymethoxyphenylcarboxylic acid-O-sulphate. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)OC=2C=CC=3C=4C(OC(C3C2)=O)=CC(=CC4)O [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)OC=2C=CC=3C=4C(OC(C3C2)=O)=CC(=CC4)O is A member of the class of benzochromenones that is urolithin A in which the phenolic hydrogen at position 8 has been replaced by a beta-D-glucuronosyl group. It has the role of human urinary metabolite .  It is also related to or classified as phenols  . It is also related to or classified as beta-D-glucosiduronic acid , monosaccharide derivative , benzochromenone .
The molecule [C@@H]1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])=O)C)[H])C)O [C@@H]1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])=O)C)[H])C)O is A 3beta-hydroxy steroid that is 5beta-androstane substituted by a hydroxy group at position 3beta and an oxo group at position 17. It is a metabolite of testosterone. It has the role of androgen . It has the role of animal metabolite . It has the role of mouse metabolite . It has the role of human blood serum metabolite . It has the role of rat metabolite . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as androstanoid .
The molecule S(OC(CO)C1=CC(OC)=C(O)C=C1)(O)(=O)=O S(OC(CO)C1=CC(OC)=C(O)C=C1)(O)(=O)=O is 3-Methoxy-4-Hydroxyphenylglycol sulfate. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule CC1CCC2(O1)C(C)=CCCC2(C)C CC1CCC2(O1)C(C)=CCCC2(C)C is A norisoprenoid with forumula C13H22O that is a flavour component found in various essential oils such as raspberry oil and passion fruit oil. It has the role of volatile oil component . It has the role of flavouring agent . It has the role of fragrance . It is also related to or classified as volatile organic compound , norisoprenoid , oxaspiro compound , olefinic compound .
The molecule CN1CCC2=CC(O)=C(O)C=C2C1 CN1CCC2=CC(O)=C(O)C=C2C1 is an isoquinolinol that is norsalsolinol substituted by a methyl group at position 2. It is present in normal human brain and also identified in the cerebrospinal fluid of patients with Parkinson's disease. It has the role of neurotoxin . It has the role of human metabolite . It has the role of rat metabolite . Its functional parent is norsalsolinol . It is also related to or classified as isoquinolinol , tertiary amino compound .