anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C(O)C1=C(O)C=CC=C1CC(=O)CCCCCCCCCCCCCCCC(OC(=O)[C@@H](OC(=O)C)[C@@H](O)[C@H](O)[C@H](O[C@@H]2OC([C@@H](O)C(C2OC(=O)C)O)CO)COC(=O)CC(=O)O)C O=C(O)C1=C(O)C=CC=C1CC(=O)CCCCCCCCCCCCCCCC(OC(=O)[C@@H](OC(=O)C)[C@@H](O)[C@H](O)[C@H](O[C@@H]2OC([C@@H](O)C(C2OC(=O)C)O)CO)COC(=O)CC(=O)O)C is F-16438 F. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O is a glycosyloxyflavone that is flavonol substituted by a beta-D-galactopyranosyl moiety at position 3 vis a glycosidic linkage. It is a D-galactoside, a monosaccharide derivative and a glycosyloxyflavone. It derives from a flavonol.
The molecule C(=C/C(=O)O)\\C(=O)O is a butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle. It has a role as a food acidity regulator and a fundamental metabolite. It is a conjugate acid of a fumarate(1-).
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O is a disaccharide phosphate consisting of cellobiose having a monophosphate group at the 6'-position. It derives from a cellobiose. It is a conjugate acid of a 6-phosphonato-beta-D-glucosyl-(1->4)-D-glucose(2-).
The molecule [H][C@@]12CC[C@]3([H])C(=CC[C@]4(C)[C@]([H])([C@H](O)C[C@@]34C)[C@H](C)N(C)C)C=C1CC[C@@H]([C@@H]2C)N(C)C [H][C@@]12CC[C@]3([H])C(=CC[C@]4(C)[C@]([H])([C@H](O)C[C@@]34C)[C@H](C)N(C)C)C=C1CC[C@@H]([C@@H]2C)N(C)C is 31-demethylbuxaminol. It has the role of metabolite . It is also related to or classified as steroid alkaloid .
The molecule O1C(C2=CC=C(OCC=C(C)C)C=C2)=C(OC)C(=O)C=3C1=CC(O)=CC3O O1C(C2=CC=C(OCC=C(C)C)C=C2)=C(OC)C(=O)C=3C1=CC(O)=CC3O is 5,7-Dihydroxy-3-methoxy-4'-prenyloxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [Al+3] is an aluminium cation that has a charge of +3. It is an aluminium cation, a monoatomic trication and a monoatomic aluminium.
The molecule OC[C@@H]1O[C@@H](OP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O OC[C@@H]1O[C@@H](OP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O is A L-galactose 1-phosphate compound having beta-configuration about the anomeric centre. Its functional parent is beta-L-galactose . It is a conjugate acid of alpha-L-galactose 1-phosphate(2-) . It is also related to or classified as L-galactose 1-phosphate  .
The molecule CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)OC(C)(C)C is a tripeptide consisting of Gln-Ala-Arg carrying a Boc group at the N-terminal and a 7-amino-4-methylcoumarin group at the C-terminal. It is a tripeptide, a member of coumarins and a carbamate ester.
The molecule Cc1cccc(C)c1NC(=O)CN Cc1cccc(C)c1NC(=O)CN is A amino acid amide with 2,6-dimethylaniline and glycine components; an active metabolite of lidocaine, formed by oxidative deethylation. Used as an indicator of hepatic function. It has the role of drug metabolite . It is also related to or classified as amino acid amide .
The molecule CCCNC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)CC)OC[C@@H]1C)C)OC)C CCCNC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)CC)OC[C@@H]1C)C)OC)C is (4S,7S,8R)-14-(ethylsulfonylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O is a glycosylglucose consisting of a beta-L-fucosyl residue and an alpha-D-glucopyranose residue joined in sequence by a (1->6) glycosidic bond. It derives from a beta-L-fucose and an alpha-D-glucose.
The molecule CCCCC[C@@H](/C=C/C=C\\CCCCCCCCCC(=O)[O-])OO is a hydroperoxy polyunsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (15S)-hydroperoxy-(11Z,13E)-icosadienoic acid. Major species at pH 7.3. It is a conjugate base of a (15S)-hydroperoxy-(11Z,13E)-icosadienoic acid.
The molecule Cc1cccc2c1ccc1ccccc21 Cc1cccc2c1ccc1ccccc21 is A member of the class of phenanthrenes that is phenanthrene substituted by a methyl group at position 1. It has the role of mutagen . It is also related to or classified as phenanthrenes .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O is A tridecaprenyl diphosphate having three (E)- and seven (Z)-double bonds. It is a conjugate acid of tri-trans,poly-cis-undecaprenyl diphosphate(3-) . It is also related to or classified as undecaprenyl diphosphate  .
The molecule [H]C(=O)C(=O)COP([O-])([O-])=O [H]C(=O)C(=O)COP([O-])([O-])=O is dianion of hydroxypyruvaldehyde phosphate arising from deprotonation of both of the phosphate OH groups. It is also related to or classified as organophosphate oxoanion .
The molecule CC(=O)OC/C=C/C1=CC(=C(C=C1)OC)OC is an acetate ester that is cinnamyl acetate substituted by methoxy groups at positions 3' and 4' respectively. It is an acetate ester and a dimethoxybenzene.
The molecule CC(C(=O)[O-])[NH2+]C(C)C(=O)[O-] is conjugate base of 2,2'-iminodipropanoic acid having both carboxy groups in anionic form and the nitrogen protonated. It is a conjugate base of a 2,2'-iminodipropanoic acid.
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]1OC=2C(=O)C3=C(OC2C4=CC=C(O)C=C4)C(=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C=C3O)CC=C(C)C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]1OC=2C(=O)C3=C(OC2C4=CC=C(O)C=C4)C(=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C=C3O)CC=C(C)C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO is Ikarisoside C. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1=CC=C2C(=C1)C(=CN2)C[C@H](OC(CC)=O)C([C@H](CC)C)=O C1=CC=C2C(=C1)C(=CN2)C[C@H](OC(CC)=O)C([C@H](CC)C)=O is xenocyloin E. It is also related to or classified as xenocyloin  . It is also related to or classified as carboxylic ester  .
The molecule CC(C)(C)NC(=S)NNC(=O)C1=CC=CC=C1Cl CC(C)(C)NC(=S)NNC(=O)C1=CC=CC=C1Cl is 1-tert-butyl-3-[[(2-chlorophenyl)-oxomethyl]amino]thiourea. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C1CC1COC2=CC=C(C=C2)C3=C(C(=NC(=C3C#N)SCC(=O)N)N)C#N is a member of the class of cyanopyridines that is 6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-sulfanylpyridine in which the hydroxy and sulfanyl hydrogens are replaced by cyclopropylmethyl and carboxamidomethyl groups respectively. It has a role as an adenosine A2B receptor agonist, a cardioprotective agent and an anti-inflammatory agent. It is an aminopyridine, a cyanopyridine, an aryl sulfide, a monocarboxylic acid amide, an aromatic ether and a member of cyclopropanes.
The molecule O=C(NCCSC(=O)C(C(=O)CCC)CC)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-] O=C(NCCSC(=O)C(C(=O)CCC)CC)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-] is 3-Oxo-2-Ethylhexanoic acid Coenzyme A. It is also related to or classified as organic molecular entity .
The molecule [H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])C=C[C@@]4([H])C(C)(C)[C@H]([C@H](O)C[C@@]44C[C@@]34CC[C@]12C)N(C)C)[C@H](C)N(C)C [H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])C=C[C@@]4([H])C(C)(C)[C@H]([C@H](O)C[C@@]44C[C@@]34CC[C@]12C)N(C)C)[C@H](C)N(C)C is cyclonataminol. It has the role of metabolite . It is also related to or classified as steroid alkaloid .
The molecule O=C(N(C1=CC=C(OC)C=C1)C2CCN(CCC=3C=CC=CC3)CC2)CC O=C(N(C1=CC=C(OC)C=C1)C2CCN(CCC=3C=CC=CC3)CC2)CC is A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-(4-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. It is a synthetic analogue of fentanyl. It has the role of opioid analgesic . It has the role of mu-opioid receptor agonist .   It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as monomethoxybenzene , piperidines , tertiary amino compound .
The molecule O=C(NCCSC(=O)C(CC)CCCC)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-] O=C(NCCSC(=O)C(CC)CCCC)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-] is 2-ethylhexanoic acid coenzyme A. It is also related to or classified as organic molecular entity .
The molecule [H][C@@]12C[C@H](O)[C@@]3([H])[C@]4(C)CO[C@@]3(CC1=CC[C@]1(C)[C@]([H])([C@H](O)C[C@@]21C)[C@H](C)N(C)C)C=C[C@@H]4NC(=O)c1ccccc1 [H][C@@]12C[C@H](O)[C@@]3([H])[C@]4(C)CO[C@@]3(CC1=CC[C@]1(C)[C@]([H])([C@H](O)C[C@@]21C)[C@H](C)N(C)C)C=C[C@@H]4NC(=O)c1ccccc1 is O10-natafuranamine. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)CC3=CC=CC=C3F)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)CC3=CC=CC=C3F)C)OC)C is N-[(5R,6S,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COCC(=O)N1CC(CC1C(=O)O)O is a 4-hydroxyproline substituted at N-1 by an methoxyacetyl group. It has a role as a metabolite. It derives from a 4-hydroxyproline.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP([O-])(=O)O[C@@H]1OC[C@H]([NH3+])[C@H](O)[C@H]1O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP([O-])(=O)O[C@@H]1OC[C@H]([NH3+])[C@H](O)[C@H]1O is zwitterionic form of 4-amino-4-deoxy-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate having an anionic phosphate group and a protonated amino group; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule C[NH3+] is the conjugate acid of methylamine; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate acid of a methylamine.
The molecule O1C(CCC2=C1C=C(OC)C=C2OC)C3=CC(O)=C(O)C=C3 O1C(CCC2=C1C=C(OC)C=C2OC)C3=CC(O)=C(O)C=C3 is 3',4'-Dihydroxy-5,7-dimethoxyflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H]C(=O)c1ccc(cc1)S([O-])(=O)=O [H]C(=O)c1ccc(cc1)S([O-])(=O)=O is an arenesulfonate that is the conjugate base of 4-formylbenzenesulfonic acid, obtained by deprotonation of the sulfonic acid group. It is also related to or classified as arenesulfonate oxoanion .
The molecule C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)[O-])O)O)O is a flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of gossypetin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a gossypetin.
The molecule OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O is pentetate(3-). It is a conjugate acid of pentetate(4-) . It is also related to or classified as pentacarboxylic acid anion .
The molecule [H]C(=O)c1c2ccccc2c(C([H])=O)c2ccccc12 [H]C(=O)c1c2ccccc2c(C([H])=O)c2ccccc12 is anthracene-9,10-dialdehyde.  It is also related to or classified as anthracenedialdehyde  . It is also related to or classified as acene-9,10-dialdehyde .
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino octasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc in which the mannosyl group is substituted at position 3 by a beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 6 by an alpha-D-Man-(1->3)-alpha-D-Man group, while the D-GlcNAc residue at the reducing end is substituted at position 6 by an alpha-L-Fuc residue. It is also related to or classified as beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->3)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-D-GlcpNAc  . It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide , amino sugar .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)([O-])[O-])O)O)O)O is an organophosphate oxoanion that is the dianion of D-glucopyranose 1-phosphate arising from deprotonation of both phosphate OH groups. It has a role as a fundamental metabolite. It is a conjugate base of a D-glucopyranose 1-phosphate.
The molecule [H][C@@]12C[C@H](OC(C)=O)[C@@]3([H])[C@]4(C)CO[C@@H]([C@@H]4NC(=O)c4ccccc4)[C@@]4([H])O[C@@]34CC1=CC[C@]1(C)[C@]([H])([C@H](O)C[C@@]21C)[C@H](C)N(C)C [H][C@@]12C[C@H](OC(C)=O)[C@@]3([H])[C@]4(C)CO[C@@H]([C@@H]4NC(=O)c4ccccc4)[C@@]4([H])O[C@@]34CC1=CC[C@]1(C)[C@]([H])([C@H](O)C[C@@]21C)[C@H](C)N(C)C is O2-natafuranamine. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O is an arenesulfonic acid that is 3-hydroxynaphthalene-2,7-disulfonic acid carrying a {2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl group at position 4. The tetrasodium salt is the biological stain 'Ponceau S'. It has a role as a histological dye and a fluorochrome. It is an arenesulfonic acid, a member of azobenzenes, a bis(azo) compound and a member of naphthols. It is a conjugate acid of a Ponceau S(4-).
The molecule C[C@@H]1O[C@@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino octasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at position 3 by a beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 6 by an alpha-D-Man-(1->3)-alpha-D-Man group, while the D-GlcNAc residue at the reducing end is substituted at position 6 by an alpha-L-Fuc residue. It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide , amino sugar .
The molecule CC(=O)N1C=C(C2=CC=CC=C21)C=O is an N-acylindole that is N-acetylindole carrying an additional formyl substituent at position 3. It has a role as a plant metabolite. It is a N-acylindole and an arenecarbaldehyde.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=CC3=O)C4=CC=C(O)C=C4)=C2)COC(=O)/C=C/C5=CC=C(O)C=C5 O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=CC3=O)C4=CC=C(O)C=C4)=C2)COC(=O)/C=C/C5=CC=C(O)C=C5 is Hispidulin 7-(6''-E-p-Coumaroylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O is A tetradecaprenyl diphosphate having two (E)- and eleven (Z)-double bonds. It is a conjugate acid of ditrans,polycis-tetradecaprenyl diphosphate(3-) . It is also related to or classified as tetradecaprenyl diphosphate  .
The molecule [O-]C(=O)C1CSCC[NH2+]1 [O-]C(=O)C1CSCC[NH2+]1 is zwitterionic form of thiomorpholine-3-carboxylic acid arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a conjugate acid of thiomorpholine-3-carboxylate . It is also related to or classified as amino-acid zwitterion .
The molecule C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)([O-])[O-] is dianion of aldehydo-D-glucose 6-phosphate arising from deprotonation of the two OH groups of the phosphate. It is a conjugate base of an aldehydo-D-glucose 6-phosphate.
The molecule C=1(C=CC(=C(C1)O)O)/C=C/C(OCC)=O C=1(C=CC(=C(C1)O)O)/C=C/C(OCC)=O is an ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol. It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . Its functional parent is trans-caffeic acid . It is also related to or classified as ethyl ester  . It is also related to or classified as alkyl caffeate ester  .
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@@H]([C@H](CN(C2=O)C)OC)C)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@@H]([C@H](CN(C2=O)C)OC)C)C is N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)([O-])[O-])O)O)O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#15-CoA; major species at pH 7.3. It is a conjugate base of an oscr#15-CoA.
The molecule CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C is 1-(4-chlorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)CC(C(=O)O)O is a valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in a patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome. It has a role as a metabolite. It is a 2-hydroxy fatty acid and a branched-chain fatty acid. It derives from a valeric acid. It is a conjugate acid of a 2-hydroxy-4-methylvalerate.
The molecule C[C@@H](CCCC(C)CCCC(C)CCCC(C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is a multi-methyl-branched fatty acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of (2S)-pristanoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2S)-pristanoyl-CoA.
The molecule O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(C(O)=C3)C)C4=CC=C(O)C=C4)CO O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(C(O)=C3)C)C4=CC=C(O)C=C4)CO is 6-C-Methylkaempferol 3-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule N[C@@H](\C=C\ONC=O)C(O)=O N[C@@H](\C=C\ONC=O)C(O)=O is 2-amino-4-formylaminooxy-but-3E-enoic acid. It has the role of metabolite . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O is A dodecaprenyl diphosphate having two (E)- and nine (Z)-double bonds. Its functional parent is ditrans,polycis-dodecaprenyl phosphate . It is a conjugate acid of ditrans,polycis-dodecaprenyl diphosphate(3-) . It is also related to or classified as dodecaprenyl diphosphate  .
The molecule COCC(=O)[O-].[Na+] is an organic sodium salt comprising equal numbers of sodium and methoxyacetate ions. It has a role as an apoptosis inducer, a mutagen, an antineoplastic agent and a human xenobiotic metabolite. It contains a methoxyacetate.
The molecule CCC(O)C(=O)CC CCC(O)C(=O)CC is A hexanone that is hexan-3-one substituted by a hydroxy group at position 4.  It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as secondary alcohol  . It is also related to or classified as hexanone .
The molecule OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O is pentetic acid. It has the role of copper chelator . It is a conjugate acid of pentetate(1-) . It is also related to or classified as pentacarboxylic acid .
The molecule O=C1OC=2C3=C(O)C=C(OC)C=C3C(C)=CC2C(=C1O)OC O=C1OC=2C3=C(O)C=C(OC)C=C3C(C)=CC2C(=C1O)OC is 3,10-dihydroxy-4,8-dimethoxy-6-methylbenzocoumarin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN[C@H](CO2)C)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN[C@H](CO2)C)C)OC)C is N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@@H]([C@@H](O[C@H]2OC(=C(O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@@H](NS(O)(=O)=O)[C@@H]1O)CO O1[C@@H]([C@@H](O[C@H]2OC(=C(O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@@H](NS(O)(=O)=O)[C@@H]1O)CO is an oligosaccharide sulfate consisting of 2-O-sulfo-beta-L-threo-hex-4-enopyranuronose and 2-deoxy-2-(sulfoamino)-beta-D-glucopyranose joined in sequence by a (1->4) glycosidic bond.  It is also related to or classified as enol  .  It is also related to or classified as disaccharide  . It is also related to or classified as monocarboxylic acid , sulfamic acids , oligosaccharide sulfate .
The molecule CC1=CC(=O)O[C@@H](C1(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2R)-3,3,4-trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetic acid. It is a conjugate acid of a [(2R)-3,3,4-trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA(4-).
The molecule C1=CC(=CC=C1/C=C/C=C/C=C/C(=O)C2=CC=C(C=C2)O)O is an enone that consists of 7-oxohepta-1,3,5-triene-1,7-diyl moiety substituted by a 4-hydroxyphenyl substituent at C-1 and at C-7. It is isolated from the rhizomes of Etlingera elatior and has been found to inhibit lipid peroxidation. It has a role as a metabolite and an antioxidant. It is a polyphenol, an enone and an aromatic ketone.
The molecule O1C2=C(C(=O)C(OC)=C1C3=CC=CC=C3)C(O)=CC(O)=C2OC(=O)C(CC)C O1C2=C(C(=O)C(OC)=C1C3=CC=CC=C3)C(O)=CC(O)=C2OC(=O)C(CC)C is 8-Hydroxygalangin 3-methyl ether 8-methylbutyrate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .