anonymous041/ChEBI-Augmented huggingface dataset:
The molecule ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl is an N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-alpha-glutamine that has (S)-configuration (the racemate is lorglumide, a CCK antagonist). It is a conjugate acid of (S)-lorglumide(1-) . It is also related to or classified as N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-alpha-glutamine  .
The molecule ClC1=C(C=C(C(=O)N[C@H](CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl.[Na+] ClC1=C(C=C(C(=O)N[C@H](CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl.[Na+] is an organic sodium salt obtained by formal condensation of N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-D-alpha-glutamine with one equivalent of sodium hydroxide. The racemate is lorglumide sodium, a CCK antagonist. It is also related to or classified as organic sodium salt .
The molecule ClC1=C(C=C(C(=O)NC(CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl ClC1=C(C=C(C(=O)NC(CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl is A dicarboxylic acid monoamide obtained by formal condensation of the alpha-carboxy group of N-(3,4-dichlorobenzoyl)glutamic acid with the amino group of dipentylamine.  It is also related to or classified as dichlorobenzene  . It is also related to or classified as benzamides , glutamic acid derivative , dicarboxylic acid monoamide .
The molecule C1[NH+](CCO[C@@H](C=2C1=CC=CC2)C=3C=CC=CC3)C C1[NH+](CCO[C@@H](C=2C1=CC=CC2)C=3C=CC=CC3)C is an organic cation resulting from the protonation of the tertiary amino group of (S)-nefopam. It is a conjugate acid of (S)-nefopam . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl.[Na+] ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl.[Na+] is an organic sodium salt obtained by formal condensation of N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-L-alpha-glutamine with one equivalent of sodium hydroxide. The racemate is lorglumide sodium, a CCK antagonist. It is also related to or classified as organic sodium salt .
The molecule C1[NH+](CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C C1[NH+](CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C is an organic cation resulting from the protonation of the tertiary amino group of (R)-nefopam. It is a conjugate acid of (R)-nefopam . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C12=CC=CC=C1C=CC(=C2)C(N)=O C12=CC=CC=C1C=CC(=C2)C(N)=O is A naphthalenecarboxamide resulting from the formal condensation of the carboxy group of 2-naphthoic acid with ammonia. It is also related to or classified as naphthalenecarboxamide .
The molecule C1(=NOC(=C1)COC=2C=CC(=CC2Cl)F)C(=O)N3CCC(CC3)C4=CC=NC=C4 C1(=NOC(=C1)COC=2C=CC(=CC2Cl)F)C(=O)N3CCC(CC3)C4=CC=NC=C4 is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has the role of P450 inhibitor .    It is also related to or classified as isoxazoles  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as pyridines , aromatic ether , N-acylpiperidine , aromatic amide , monochlorobenzenes .
The molecule Cl.C1N(CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C Cl.C1N(CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C is A hydrochloride obtained by reaction of (S)-nefopam with one equivalent of hydrochloric acid (the racemic salt is an analgesic drug). It is also related to or classified as hydrochloride .
The molecule ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl is A monocarboxylic acid anion that is the conjugate base of (S)-lorglumide, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule C1N(CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C C1N(CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C is A 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine that has (S)-configuration (the racemate is a non-opioid analgesic drug). It is also related to or classified as 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine  .
The molecule C1(=NOC(=C1)COC=2C=CC=C(C2)C(F)(F)F)C(=O)N3CCC(CC3)C4=CC=NC=C4 C1(=NOC(=C1)COC=2C=CC=C(C2)C(F)(F)F)C(=O)N3CCC(CC3)C4=CC=NC=C4 is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(3-trifluoromethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has the role of P450 inhibitor .   It is also related to or classified as organofluorine compound  .  It is also related to or classified as isoxazoles  . It is also related to or classified as pyridines , aromatic ether , N-acylpiperidine , aromatic amide .
The molecule C1N(CCOC(C=2C1=CC=CC2)C=3C=CC=CC3)C C1N(CCOC(C=2C1=CC=CC2)C=3C=CC=CC3)C is A member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively. It is also related to or classified as tertiary amino compound , benzoxazocine .
The molecule C1(=NOC(=C1)COC=2C(=CC=CC2C)C)C(=O)N3CCC(CC3)C4=CC=NC=C4 C1(=NOC(=C1)COC=2C(=CC=CC2C)C)C(=O)N3CCC(CC3)C4=CC=NC=C4 is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has the role of geroprotector . It has the role of P450 inhibitor .    It is also related to or classified as isoxazoles  . It is also related to or classified as pyridines , aromatic ether , N-acylpiperidine , aromatic amide .
The molecule C1(=NOC(=C1)COC=2C(=CC=CC2F)F)C(=O)N3CCC(CC3)C4=CC=NC=C4 C1(=NOC(=C1)COC=2C(=CC=CC2F)F)C(=O)N3CCC(CC3)C4=CC=NC=C4 is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has the role of P450 inhibitor .   It is also related to or classified as difluorobenzene  .  It is also related to or classified as isoxazoles  . It is also related to or classified as pyridines , aromatic ether , N-acylpiperidine , aromatic amide .
The molecule Cl.C1N(CCO[C@@H](C=2C1=CC=CC2)C=3C=CC=CC3)C Cl.C1N(CCO[C@@H](C=2C1=CC=CC2)C=3C=CC=CC3)C is A hydrochloride obtained by reaction of (R)-nefopam with one equivalent of hydrochloric acid (the racemic salt is an analgesic drug). It is also related to or classified as hydrochloride .
The molecule C1CO[C@]2([C@@]1([C@H](CO2)OC(=O)CO)[H])[H] C1CO[C@]2([C@@]1([C@H](CO2)OC(=O)CO)[H])[H] is A furofuran that is (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol in which the hydroxyl hydrogen is replaced by a glycolate group. It is also related to or classified as glycolate ester , furofuran , cyclic acetal .
The molecule C(CCC(O)=O)CCC/C=C\C\C=C/C=C/[C@H](CCCCC)O C(CCC(O)=O)CCC/C=C\C\C=C/C=C/[C@H](CCCCC)O is A 15-HETrE consisting of (8Z,11Z,13E)-icosatrienoic acid in which the 15-hydroxy group has S-configuration. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It is also related to or classified as 15-HETrE  .
The molecule O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CC(C(CC)O)O)O O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CC(C(CC)O)O)O is A DiHETE consisting of arachidonic acid having the two hydroxy substituents located at position 17 and 18. It has the role of human xenobiotic metabolite . It has the role of human blood serum metabolite . Its functional parent is arachidonic acid . It is also related to or classified as dihydroxyicosatetraenoic acid .
The molecule C=1(C2=C(C(=C3C1C=CC=C3)C=NNC4=NCCN4)C=CC=C2)C=NNC5=NCCN5 C=1(C2=C(C(=C3C1C=CC=C3)C=NNC4=NCCN4)C=CC=C2)C=NNC5=NCCN5 is A hydrazone resulting from the formal condensation of both of the aldehyde groups of anthracene-9,10-dicarbaldehyde with 2-hydrazinyl-4,5-dihydro-1H-imidazole. It has the role of antineoplastic agent .  It is also related to or classified as hydrazone  . It is also related to or classified as imidazolidines , anthracenes .
The molecule C(=O)(/C=C/C1=CC=C(O)C(O)=C1)O[C@@]2(C[C@@H](O)[C@@H]([C@@H](C2)OC(=O)/C=C/C3=CC(=C(O)C=C3)OC)O)C(O)=O C(=O)(/C=C/C1=CC=C(O)C(O)=C1)O[C@@]2(C[C@@H](O)[C@@H]([C@@H](C2)OC(=O)/C=C/C3=CC(=C(O)C=C3)OC)O)C(O)=O is A quinic acid that is (-)-quinic acid acylated at positions 1 and 5 by caffeoyl and feruloyl groups respectively. Its functional parent is trans-caffeic acid . Its functional parent is (-)-quinic acid . Its functional parent is trans-ferulic acid . It is also related to or classified as polyphenol , quinic acid .
The molecule P(=O)(OC[C@H](OC(CCCCCNC=1C2=NON=C2C(=CC1)[N+]([O-])=O)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)(OC[C@@H](C(O)=O)N)O P(=O)(OC[C@H](OC(CCCCCNC=1C2=NON=C2C(=CC1)[N+]([O-])=O)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)(OC[C@@H](C(O)=O)N)O is A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are oleoyl and 6-[(7-nitro-2-1,3-benzoxadiazol-4-yl)amino]hexanoyl respectively. It has the role of fluorescent probe . Its functional parent is oleic acid . It is also related to or classified as 3-sn-phosphatidyl-L-serine  . It is also related to or classified as benzoxadiazole .
The molecule C1(=NOC(=C1)COC=2C=C(C=CC2)OC)C(=O)N3CCC(CC3)C4=CC=NC=C4 C1(=NOC(=C1)COC=2C=C(C=CC2)OC)C(=O)N3CCC(CC3)C4=CC=NC=C4 is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has the role of P450 inhibitor .     It is also related to or classified as isoxazoles  . It is also related to or classified as pyridines , aromatic ether , ring assembly , N-acylpiperidine , aromatic amide .
The molecule C1(=CC(=CC(=C1C(=O)CCC2=CC(=C(C=C2)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O3)O)O)O C1(=CC(=CC(=C1C(=O)CCC2=CC(=C(C=C2)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O3)O)O)O is an aryl beta-D-glucoside that is 3-hydroxyphloretin in which the hydroxyl hydrogen at position 2' is replaced by a 6-O-beta-D-xylosyl-beta-D-glucosyl group. Its functional parent is phloretin . It is also related to or classified as polyphenol , aryl beta-D-glucoside , disaccharide derivative , dihydrochalcones .
The molecule OC(=O)CC=1C=CC=C(C1)C OC(=O)CC=1C=CC=C(C1)C is A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group. It has the role of fungal xenobiotic metabolite . Its functional parent is acetic acid . It is also related to or classified as benzenes , monocarboxylic acid .
The molecule [C@@H]1(N2C(NC(=O)C(=C2)Br)=O)O[C@H](COP(OP(OP(O)(=O)O)(=O)O)(=O)O)[C@H]([C@H]1O)O [C@@H]1(N2C(NC(=O)C(=C2)Br)=O)O[C@H](COP(OP(OP(O)(=O)O)(=O)O)(=O)O)[C@H]([C@H]1O)O is A pyrimidine ribonucleoside 5'-triphosphate having 5-bromouracil as the pyrimidine component. Its functional parent is UTP .  It is also related to or classified as organobromine compound  . It is also related to or classified as pyrimidine ribonucleoside 5'-triphosphate .
The molecule CCC(C)CC CCC(C)CC is an alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black. It has the role of non-polar solvent . It has the role of allelochemical . It has the role of human metabolite .  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .
The molecule C1=C(C(=CC=C1C([C@H]([C@@H](CC2=CC=C(C(=C2)OC)O)CO)CO)O)O)OC C1=C(C(=CC=C1C([C@H]([C@@H](CC2=CC=C(C(=C2)OC)O)CO)CO)O)O)OC is A polyphenol that is (-)-secoisolariciresinol carrying an additional hydroxy substituent at position 7. Its functional parent is (-)-secoisolariciresinol . It is also related to or classified as lignan  . It is also related to or classified as polyphenol , triol , methoxybenzenes .
The molecule C(\CC)=C\C[C@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O C(\CC)=C\C[C@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O is A 15-HEPE that consists of (5Z,8Z,11Z,13E,17Z)-icosapentaenoic acid in which the 15-hydroxy group has R-configuration. It has the role of anti-inflammatory agent . It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It is a conjugate acid of 15(R)-HEPE(1-) . It is also related to or classified as 15-HEPE  .
The molecule O(C=1C(O)=C(/C(=C\C2=CC(OC)=C(O)C=C2)/C(=O)O)C=C(C1)/C=C/C(=O)O)C O(C=1C(O)=C(/C(=C\C2=CC(OC)=C(O)C=C2)/C(=O)O)C=C(C1)/C=C/C(=O)O)C is A polyphenol composed of two molecules of ferulic acid joined by a bond between positions 8 and 5'. It has the role of plant metabolite . It has the role of Aspergillus metabolite . Its functional parent is trans-ferulic acid . It is also related to or classified as polyphenol , dicarboxylic acid , methoxybenzenes , olefinic compound .
The molecule N1([C@@](CCC1)(C(=O)NC2=CN=C(C=C2)F)C)C3=NN4C(C(=N3)NC5=NNC(=C5)C6CC6)=CC=C4 N1([C@@](CCC1)(C(=O)NC2=CN=C(C=C2)F)C)C3=NN4C(C(=N3)NC5=NNC(=C5)C6CC6)=CC=C4 is A pyrrolotriazine that is pyrrolo[2,1-f][1,2,4]triazine which is substituted at position 2 by the pyrrolidine nitrogen of (2S)-N-(6-fluoropyridin-3-yl)-2-methylprolinamide, and at position 4 by a (5-cyclopropyl-1H-pyrazol-3-yl)amino group. It is a potent, reversible inhibitor of the insulin-like growth factor 1 receptor/insulin receptor family kinases. It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It is also related to or classified as pyrazoles , pyridines , pyrrolidines , pyrrolotriazine .
The molecule S(=O)(=O)(OC=1C(=CC(=CC1)CC(O)=O)OC)O S(=O)(=O)(OC=1C(=CC(=CC1)CC(O)=O)OC)O is Homovanillic acid sulfate. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule C/1(\C[C@H]2O[C@@H](C1)C[C@]3(C([C@H](C[C@@H](C[C@H](CC(O[C@@H]([C@@H](C)O)C[C@@]4(C\C(\[C@@H]([C@](C(C=C2)(C)C)(O4)O)OC(/C=C/C=C/CCC)=O)=C/C(OC)=O)[H])=O)O)O3)OC(C)=O)(C)C)O)=C\C(OC)=O C/1(\C[C@H]2O[C@@H](C1)C[C@]3(C([C@H](C[C@@H](C[C@H](CC(O[C@@H]([C@@H](C)O)C[C@@]4(C\C(\[C@@H]([C@](C(C=C2)(C)C)(O4)O)OC(/C=C/C=C/CCC)=O)=C/C(OC)=O)[H])=O)O)O3)OC(C)=O)(C)C)O)=C\C(OC)=O is A member of the class of bryostatins that is (17E)-2-oxooxacyclohexacos-17-ene which is substituted by hydroxy groups at positions 4, 10, and 20; an acetoxy group at position 8; methyl groups at positions 9, 9, 18, and 19; 2-methoxy-2-oxoethylidene groups at positions 14 and 24; an (E,E)-octa-2,4-dienoyloxy group at position 21; and with oxygen bridges linking positions 6 to 10, 12 to 16, and 20 to 24. It is one of the most abundant member of the class of bryostatins. It has the role of antineoplastic agent . It has the role of protein kinase C agonist . It has the role of anti-HIV-1 agent . It has the role of marine metabolite . It has the role of alpha-secretase activator . It is also related to or classified as methyl ester  .  It is also related to or classified as secondary alcohol  .  It is also related to or classified as acetate ester  . It is also related to or classified as enoate ester  . It is also related to or classified as bryostatins , organic heterotetracyclic compound , cyclic hemiketal .
The molecule CCOC(=O)C(C)CC CCOC(=O)C(C)CC is A fatty acid ethyl ester obtained by the formal condensation of  2-methylbutyric acid with ethanol. It is a constituent of the aroma of wines, strawberries, blueberries, and apples. It has the role of flavouring agent . It has the role of fragrance . It has the role of plant metabolite . It has the role of human metabolite . Its functional parent is ethanol . Its functional parent is 2-methylbutyric acid .  It is also related to or classified as fatty acid ethyl ester  . It is also related to or classified as volatile organic compound .
The molecule CCCCC(C)O CCCCC(C)O is A hexanol in which the hydroxy group is at position 2. It has the role of semiochemical . It has the role of plant metabolite . It has the role of human metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as hexanol .
The molecule C=C(C)C(C)=O C=C(C)C(C)=O is 3-Methyl-3-buten-2-one. Its functional parent is acrylic acid . It is also related to or classified as olefinic compound .
The molecule C(CCC/C=C\C/C=C\C/C=C\CC(C(C/C=C\CC)O)O)(=O)O C(CCC/C=C\C/C=C\C/C=C\CC(C(C/C=C\CC)O)O)(=O)O is 14,15-DiHETE. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
The molecule C=1C=CC(=C(C1)C(=O)OCCCC)C(=O)O C=1C=CC(=C(C1)C(=O)OCCCC)C(=O)O is Monobutylphthalate. Its functional parent is butan-1-ol . It is also related to or classified as phthalic acid monoester .
The molecule CC/C=C\CC(C(C/C=C\CCCCCCCC(O)=O)O)O CC/C=C\CC(C(C/C=C\CCCCCCCC(O)=O)O)O is 12,13-DiHODE. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid , dihydroxy monocarboxylic acid , octadecanoid .
The molecule C(CCC)CC([H])=O C(CCC)CC([H])=O is A saturated fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde. It has the role of human urinary metabolite . It is also related to or classified as n-alkanal  . It is also related to or classified as saturated fatty aldehyde  . It is also related to or classified as medium-chain fatty aldehyde  .
The molecule CCCCOC(=O)[H] CCCCOC(=O)[H] is A formate ester resulting from the formal condensation of formic acid with the hydroxy group of butan-1-ol. Found in apples, strawberries, sherry and Pamesan cheese, it has a fruity, plum-like odour and taste. It has the role of flavouring agent . It has the role of fragrance . It has the role of polar aprotic solvent . Its functional parent is butan-1-ol . It is also related to or classified as formate ester .
The molecule CCC(CO)=O CCC(CO)=O is A primary alpha-hydroxy ketone that is butane-1,2-diol in which the hydroxy group at position 2 has been formally oxidised to give the corresponding ketone. Its functional parent is butan-2-one . Its functional parent is butane-1,2-diol . It is also related to or classified as primary alpha-hydroxy ketone  .
The molecule OC=1C=C2[C@@H](N(CCC2=CC1O)C)C OC=1C=C2[C@@H](N(CCC2=CC1O)C)C is (S)-N-Methylsalsolinol. Its functional parent is (S)-salsolinol . It is also related to or classified as isoquinolines .
The molecule C=CC(C)(CCC=C(C)C)OC(C1=CC=CC=C1N)=O C=CC(C)(CCC=C(C)C)OC(C1=CC=CC=C1N)=O is Linalyl anthranilate. It is also related to or classified as arene  . It is also related to or classified as terpene  .
The molecule C1C=CC(=C(C1(C)C)CCC(C)=O)C C1C=CC(=C(C1(C)C)CCC(C)=O)C is A member of the class of cyclohexadienes that is cyclohexa-1,3-diene substituted by a 3-oxobutyl group at position 1 and by methyl groups at positions 2 and 6. It has the role of flavouring agent . It has the role of human urinary metabolite . It is also related to or classified as cyclohexadiene  . It is also related to or classified as methyl ketone .
The molecule COc1c2C[C@@H](Oc2[n+](C)c2ccc(O)cc12)C(C)(C)O COc1c2C[C@@H](Oc2[n+](C)c2ccc(O)cc12)C(C)(C)O is Ribalinium. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule CC1CCCC1 CC1CCCC1 is A cycloalkane that is cyclopentane substituted by a single methyl group. It has the role of plant metabolite . It has the role of human metabolite .  It is also related to or classified as cycloalkane  . It is also related to or classified as volatile organic compound .
The molecule C(C(O)CC=1C=C(C(=CC1)O)OC)(=O)O C(C(O)CC=1C=C(C(=CC1)O)OC)(=O)O is Vanillactic acid. Its functional parent is pyruvic acid . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl is alpha-Trichloromethylbenzyl acetate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule CCCCCCCC\C=C\CC CCCCCCCC\C=C\CC is A 3-dodecene in which the double bond adopts a trans-configuration. It has the role of human metabolite . It has the role of human urinary metabolite . It is also related to or classified as 3-dodecene  .
The molecule CCCCC(CC)COC(C1=CC=CC=C1O)=O CCCCC(CC)COC(C1=CC=CC=C1O)=O is Ethylhexyl salicylate. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CCCC(CC)O CCCC(CC)O is A hexanol in which the hydroxy group is at position 3. It has the role of pheromone . It has the role of flavouring agent . It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as hexanol .
The molecule CCC1=CC=C(C)O1 CCC1=CC=C(C)O1 is A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by ethyl and methyl groups, respectively. It has the role of flavouring agent . It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of fungal metabolite . It has the role of human urinary metabolite . It is also related to or classified as furans .
The molecule CC(C)CC1CCCC=C1 CC(C)CC1CCCC=C1 is A member of the class of cycloalkenes that is cyclohexene substituted by a 2-methylpropyl group at position 3. It has the role of human metabolite . It is also related to or classified as cycloalkene  .
The molecule C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](O)COC(CCCCCCCCC/C=C\CCCCCCCC)=O C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](O)COC(CCCCCCCCC/C=C\CCCCCCCC)=O is A 1-icosenoyl-sn-glycero-3-phosphocholine in which the the double bond of the icosenoyl group is at the 11-12 position and has Z configuration. It is also related to or classified as 1-icosenoyl-sn-glycero-3-phosphocholine  .
The molecule C=1(C=C(C=C(C1)O)CC(CCC(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=O)O)O C=1(C=C(C=C(C1)O)CC(CCC(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=O)O)O is 4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide. It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .
The molecule CCCCCCCC\C=C/CC CCCCCCCC\C=C/CC is A 3-dodecene in which the double bond adopts a cis-configuration. It has the role of volatile oil component . It has the role of flavouring agent . It has the role of mammalian metabolite . It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as 3-dodecene  .
The molecule C(CCC(O)=O)[C@@H](/C=C/C=C\C/C=C\CCCCCCCC)O C(CCC(O)=O)[C@@H](/C=C/C=C\C/C=C\CCCCCCCC)O is A 5-HETrE consisting of (6E,8Z,11Z)-icosatrienoic acid in which the 5-hydroxy group has S-configuration. It has the role of human xenobiotic metabolite . It is also related to or classified as 5-HETrE  .
The molecule C=1C=C(C=CC1)CC(CCC(OC2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)C(=O)O)=O)O C=1C=C(C=CC1)CC(CCC(OC2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)C(=O)O)=O)O is 4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide. It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .
The molecule C=1C=C(C=CC1)CC(CCC(OS(=O)(=O)O)=O)O C=1C=C(C=CC1)CC(CCC(OS(=O)(=O)O)=O)O is 4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate. It is also related to or classified as alkyl sulfate , fatty acid derivative .
The molecule O[C@@H](C[N+]=1C=C(C(C[C@H](N)C(O)=O)=C(O)C1)CC[C@H](N)C(O)=O)CC[C@H](N)C([O-])=O O[C@@H](C[N+]=1C=C(C(C[C@H](N)C(O)=O)=C(O)C1)CC[C@H](N)C(O)=O)CC[C@H](N)C([O-])=O is Pyridinoline. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .