mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=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</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of all-cis-icosa-8,11,14-trienoic acid. It has the role of human metabolite. Its functional parent is all-cis-icosa-8,11,14-trienoic acid. It is a conjugate acid of (8Z,11Z,14Z)-icosatrienoyl-CoA(4-). It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as unsaturated fatty acyl-CoA.
The molecule <smiles>O1[C@@H](OC2=C(C=3OC(CC(=O)C3C=C2C)C4=CC=CC=C4)C)C(O)[C@@H](O)[C@@H](O)C1</smiles> is 7-Hydroxy-6,8-di-C-methylflavanone 7-O-arabinoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>[O-]C(=O)C=C</smiles> is acrylate. It has the role of human metabolite. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>[H]O[Sb]([O-])(=O)O[H]</smiles> is A monovalent inorganic anion that consists of antimonic acid where one of the three OH groups has been deprotonated. It is a conjugate acid of antimonate(2-). It is also related to or classified as antimony oxoanion, monovalent inorganic anion.
The molecule <smiles>C(CCC([O-])=O)CCC[C@H](/C=C/C=C\C/C=C\CCCCC)OO</smiles> is A hydroperoxyicosatrienoate that is the conjugate base of (8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-icosa-8,11,14-trienoate.  It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as hydroperoxyicosatrienoate.
The molecule <smiles>S=P(OC)(OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC)OC</smiles> is an organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group. It has the role of acaricide. It has the role of agrochemical. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. It has the role of ectoparasiticide. Its functional parent is 4,4'-thiodiphenol. It is also related to or classified as organic sulfide . It is also related to or classified as organothiophosphate insecticide, organic thiophosphate.
The molecule <smiles>CC(\C=C\[C@@]1(O)C(C)=CC(=O)C[C@]1(C)CO)=C\C([O-])=O</smiles> is conjugate base of (+)-8'-hydroxyabscisic acid. It is also related to or classified as hydroxy monocarboxylic acid anion.
The molecule <smiles>OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1</smiles> is digallic acid. Its functional parent is gallic acid. It is a conjugate acid of digallate. It is also related to or classified as gallate ester, benzoate ester.
The molecule <smiles>C(=O)(CCC=1C=CC(OCC(CNC(C)C)O)=CC1)OC</smiles> is A methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group. Its functional parent is 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid.  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 ethanolamines, aromatic ether, secondary amino compound.
The molecule <smiles>CCCSP(=S)(OCC)Oc1ccc(SC)cc1</smiles> is sulprofos. It has the role of agrochemical. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. Its functional parent is 4-(methylsulfanyl)phenol. It is also related to or classified as organothiophosphate insecticide, organosulfur compound, organic thiophosphate.
The molecule <smiles>O=S(C1=CC=C(C)C=C1)(N/N=C/C2=CC(Br)=CC=C2O)=O</smiles> is dCeMM1 is a RBM39 glue degrader. dCeMM1 shows functions by re-directing the activity of the CRL4DCAF15 ligase. dCeMM1 decreases the expression of RBM39 levels in WT KBM7 cells. It is also related to or classified as organic molecular entity.
The molecule <smiles>CC(=O)OCCc1ccccc1</smiles> is the acetate ester of 2-phenylethanol. It has the role of metabolite. It has the role of Saccharomyces cerevisiae metabolite. Its functional parent is 2-phenylethanol. It is also related to or classified as acetate ester .
The molecule <smiles>C1(C2=C(C=C(C(=C2)Br)Br)Br)=C(C=C(C(=C1)Br)Br)Br</smiles> is A polybromobiphenyl that is biphenyl in which the hydrogens at positions 2, 2', 4, 4', 5, and 5' have been replace by bromines. It is also related to or classified as polybromobiphenyl, brominated flame retardant.
The molecule <smiles>[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C</smiles> is 7alpha-hydroxyandrost-4-ene-3,17-dione. It is also related to or classified as 17-oxo steroid . It is also related to or classified as 7alpha-hydroxy steroid . It is also related to or classified as 3-oxo-Delta(4) steroid . It is also related to or classified as androstanoid.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO</smiles> is A cationic sphingoid that is the conjugate acid of 3-dehydrosphinganine; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite. It has the role of human metabolite. It is a conjugate acid of 3-dehydrosphinganine. It is also related to or classified as 3-dehydrosphingoid base(1+) .
The molecule <smiles>Cc1ncc(COP([O-])(=O)OP([O-])([O-])=O)c(N)n1</smiles> is trianion of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>[H]C(=C)C([H])=O</smiles> is an enal that is prop-2-ene with an oxo group at position 1. It has the role of herbicide. It has the role of toxin. It has the role of human xenobiotic metabolite. It is also related to or classified as enal .
The molecule <smiles>[H][Sb+]([H])([H])[H]</smiles> is stibonium. It is a conjugate acid of stibane. It is also related to or classified as antimony hydride, onium cation.
The molecule <smiles>C1=COC=CO1</smiles> is an oxacycle that is 4H-pyran in which the methylene group at position 4 is replaced by an oxygen. Non-aromatic. It is also related to or classified as oxacycle.
The molecule <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C</smiles> is 7alpha,12alpha-dihydroxycholest-4-en-3-one. It has the role of mouse metabolite. It has the role of human metabolite. It is also related to or classified as 7alpha-hydroxy steroid .  It is also related to or classified as 3-oxo-Delta(4) steroid . It is also related to or classified as 12alpha-hydroxy steroid, cholestanoid.
The molecule <smiles>OC(C(NCCC(O)C(O)=O)C(O)=O)CNCC(O)=O</smiles> is Distichonic acid A. Its functional parent is gamma-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>CN1CCC2(C1Nc1ccccc21)C12CCN(C)C1Nc1ccccc21</smiles> is A ring assembly that is 2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole substituted by methyl groups at positions 1 and 1'. It is also related to or classified as ring assembly, calycanthaceous alkaloid, pyrroloindole.
The molecule <smiles>Oc1ccccc1C([O-])=O</smiles> is A monohydroxybenzoate that is the conjugate base of salicylic acid. It has the role of plant metabolite. It is also related to or classified as monohydroxybenzoate.
The molecule <smiles>CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C</smiles> is isofenphos. It has the role of agrochemical. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. Its functional parent is isopropyl salicylate.   It is also related to or classified as isopropyl ester . It is also related to or classified as organothiophosphate insecticide, salicylates, organic phosphonate, phosphonic ester.
The molecule <smiles>OC(=O)CCCC([O-])=O</smiles> is A dicarboxylic acid monoanion that is the conjugate base of glutaric acid. It has the role of human metabolite. It is a conjugate acid of glutarate(2-). It is also related to or classified as glutarate, dicarboxylic acid monoanion.
The molecule <smiles>C(CCCCCCC/C=C\CCCCCC)(=O)NCC([O-])=O</smiles> is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-[(9Z)-hexadecenoyl]glycine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-glycine(1-) . It is also related to or classified as N-acylglycinate .
The molecule <smiles>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(O)=O</smiles> is A monosaccharide derivative that is 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid in which the hydroxy group at position 2 is replaced by a beta-D-glucopyranosyloxy group. It has the role of anti-HBV agent. It has the role of fungal metabolite. Its functional parent is 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid. It is a conjugate acid of exophillate. It is also related to or classified as beta-D-glucoside .    It is also related to or classified as phenols . It is also related to or classified as monohydroxybenzoic acid, benzoate ester, monosaccharide derivative.
The molecule <smiles>CC(=O)CC(=O)C([O-])=O</smiles> is acetylpyruvate. Its functional parent is valerate. It is also related to or classified as 2-oxo monocarboxylic acid anion .
The molecule <smiles>C(CCCCCCCC(=O)NCC([O-])=O)CCCCCCCCC</smiles> is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-octadecanoylglycine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-glycine(1-) . It is also related to or classified as N-acylglycinate .
The molecule <smiles>[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C</smiles> is the organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide. It has the role of detergent. It has the role of surfactant. It is also related to or classified as quaternary ammonium salt, organic bromide salt.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O</smiles> is the 2-O-sulfonato-2'-O-hexadecanoyl derivative of alpha,alpha-trehalose. Its functional parent is alpha,alpha-trehalose. It is also related to or classified as organosulfate oxoanion . It is also related to or classified as trehalose sulfate, polyacyl alpha,alpha-trehalose derivative.
The molecule <smiles>CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C</smiles> is tebupirimfos. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. Its functional parent is 2-tert-butylpyrimidin-5-ol. It is also related to or classified as organothiophosphate insecticide, organic thiophosphate.
The molecule <smiles>O=C1O[C@@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](OC(=O)C)CC3C2)OC)=O)C</smiles> is Hexaricin B. It is also related to or classified as quinone . It is also related to or classified as tetracenes.
The molecule <smiles>Cn1cnc2nc(N)[nH]c(=O)c12</smiles> is A 7-methylguanine that is 1,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 7. It is also related to or classified as 7-methylguanine .
The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC</smiles> is A derivative of alpha,alpha-trehalose having an O-sulfo group at the 2 position and two long chain fatty acyl substituents at the 2'- and 3'-positions. Its functional parent is alpha,alpha-trehalose. It is also related to or classified as organosulfate oxoanion . It is also related to or classified as trehalose sulfate, polyacyl alpha,alpha-trehalose derivative.
The molecule <smiles>CNC(N)=[NH2+]</smiles> is A guanidinium ion that is the conjugate acid of methylguanidine; major species at pH 7.3. It is a conjugate acid of methylguanidine. It is also related to or classified as guanidinium ion .
The molecule <smiles>C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1NC=O</smiles> is an amino disaccharide consisting of two N-formyl-alpha-D-perosamine residues linked (1->3); forms the minimal structure for the M epitope of Brucella spp. It has the role of epitope. It is also related to or classified as amino disaccharide.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)OCCN</smiles> is A beta-D-glucoside that is the 2-aminoethyl glycoside of the monosaccharide derivative beta-D-glucopyranuronic acid. It is also related to or classified as beta-D-glucoside . It is also related to or classified as monosaccharide derivative.
The molecule <smiles>CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1</smiles> is the pteridine that is lumazine substituted with a methyl group at C-6, a hydroxy group at C-7 and a 1-D-ribityl group at N-8. It has the role of EC 2.5.1.9 (riboflavin synthase) inhibitor. Its functional parent is ribitol. Its functional parent is lumazine. It is a conjugate acid of 7-hydroxy-6-methyl-8-(1-D-ribityl)lumazine(1-). It is also related to or classified as pteridines.
The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2C)C4=CC=C(O)C=C4)C)CO[C@@H]5OCC(O)([C@@H]5O)CO</smiles> is Miconioside B. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O</smiles> is an amino trisaccharide consisting of three N-formyl-alpha-D-perosamine residues linked sequentially (1->3) and (1->2). It is also related to or classified as amino trisaccharide.
The molecule <smiles>C[C@H]1O[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)C1=O</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-2-acetamido-4-dehydro-2,6-dideoxy-beta-D-glucose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OCCN</smiles> is A beta-D-glucoside that is the 2-aminoethyl glycoside of the monosaccharide beta-D-glucopyranose. It is also related to or classified as beta-D-glucoside . It is also related to or classified as monosaccharide derivative.
The molecule <smiles>C=1C=C(C=C2C1C=CC(=O)O2)OCC</smiles> is A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group. Its functional parent is umbelliferone. It is also related to or classified as coumarins, aromatic ether.
The molecule <smiles>Cc1ccc(cc1C)N=C=O</smiles> is an isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 3 and 4. It has the role of hapten. It is also related to or classified as isocyanates.
The molecule <smiles>C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1NC=O</smiles> is an amino trisaccharide consisting of three N-formyl-alpha-D-perosamine residues linked sequentially (1->2) and (1->3). It is also related to or classified as amino trisaccharide.
The molecule <smiles>[C@H]1([C@@H]([C@]2([C@]3([C@@]1(C([C@@]2(CC[C@@H]3C(C)C)C)=C)[H])[H])[H])O)O</smiles> is (-)-14,15-dihydroxysativene. It has the role of fungal metabolite.  It is also related to or classified as sesquiterpene . It is also related to or classified as organic hydroxy compound, bridged compound.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)OCCN</smiles> is A beta-D-glucoside that is the 2-aminoethyl glycoside of a disaccharide consisting of beta-D-glucosyl and beta-D-glucuronosyl residues linked (1->4). It is also related to or classified as beta-D-glucoside . It is also related to or classified as disaccharide derivative.
The molecule <smiles>[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C</smiles> is A 3beta-sterol having the structure of desmosterol with an extra double bond at C-7--C-8. It has the role of mouse metabolite. It has the role of human metabolite. Its functional parent is desmosterol. It is also related to or classified as 3beta-sterol .
The molecule <smiles>C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H]</smiles> is the conjugate base of 3beta-hydroxyandrost-5-en-17-one 3-sulfate arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has the role of human metabolite. It is also related to or classified as steroid sulfate oxoanion.
The molecule <smiles>C[C@@H](CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O)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)OS([O-])(=O)=O</smiles> is anionic form of a sulfated menaquinone-type compound arising from deprotonation of the sulfate OH; a metabolite from Mycobacterium tuberculosis lipid extracts. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=CC=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(OC)C4)C(O)=O</smiles> is Scutellarein 6,7-dimethyl ether 4'-glucuronide. It is also related to or classified as beta-D-glucosiduronic acid, flavonoids.
The molecule <smiles>CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1</smiles> is an organochlorine compound that is 2-(4-chlorobenzyl)pyridine in which one of the benzylic hydrogens is substituted by 2-(dimethylamino)ethoxy group. It is an ethanolamine-type antihistamine, used as its maleate salt for treating hay fever, as well as mild cases of Parkinson's disease. It has the role of H1-receptor antagonist. It has the role of antiparkinson drug. It has the role of muscarinic antagonist. It has the role of anti-allergic agent. It is also related to or classified as pyridines, tertiary amino compound, monochlorobenzenes.
The molecule <smiles>C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O</smiles> is an amino tetrasaccharide consisting of four N-formyl-alpha-D-perosamine residues linked sequentially (1->2), (1->3) and (1->2). It is also related to or classified as amino tetrasaccharide.
The molecule <smiles>Oc1ccc(cc1O)[As+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> is an arsonium ion consisting of tetraphenylarsonium having two hydroxy groups at positions 3 and 4 on one of the phenyl rings. It is also related to or classified as arsonium ion, polyatomic cation.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(=O)COP([O-])([O-])=O</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 1-palmitoylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-acylglycerone 3-phosphate(2-) .
The molecule <smiles>C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CC(C)C)=C\CCCCCCCC</smiles> is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-leucine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-leucine(1-) . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid anion . It is also related to or classified as N-acyl-L-alpha-amino acid anion .
The molecule <smiles>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C([O-])=O</smiles> is A monohydroxybenzoate that is the conjugate base of phaeomoniecin D resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3. It is also related to or classified as monohydroxybenzoate.
The molecule <smiles>[H]C(=O)c1ccc(CO)o1</smiles> is A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. It has the role of indicator. It has the role of Maillard reaction product. It is also related to or classified as primary alcohol .  It is also related to or classified as arenecarbaldehyde . It is also related to or classified as furans.
The molecule <smiles>O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\[C@@H](CCCC)O)O</smiles> is A 16-HETE in which the chiral centre at position 16 has R-configuration. It has the role of mouse metabolite. It is a conjugate acid of 16(R)-HETE(1-). It is also related to or classified as 16-HETE .
The molecule <smiles>[NH3+]C(CO)C(O)=O</smiles> is an alpha-amino-acid cation that is the conjugate acid of serine. It has the role of fundamental metabolite. It is a conjugate acid of serine. It is also related to or classified as alpha-amino-acid cation.
The molecule <smiles>[O-]C(=O)c1cc(oc(=O)c1)C([O-])=O</smiles> is A dicarboxylic acid dianion obtained via deprotonation of both carboxy groups of 2-oxo-2H-pyran-4,6-dicarboxylic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion .
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)O)O)OCCN</smiles> is A beta-D-glucoside that is the 2-aminoethyl glycoside of a disaccharide consisting of beta-D-glucuronosyl and beta-D-glucosyl residues linked (1->4). It is also related to or classified as beta-D-glucoside . It is also related to or classified as disaccharide derivative.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=C)[C@H]1CCC(C)=CC1</smiles> is A sesterterpene that is 1-methylcyclohexene substituted by a (5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl group at position 4 (the 4S-stereoisomer). It has the role of bacterial metabolite.  It is also related to or classified as sesterterpene . It is also related to or classified as cyclic olefin, polyene, carbocyclic compound.
The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5O[C@H](C(O)C5O)CO</smiles> is Luteolin 7-arabinofuranosyl-(1->6)-glucoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>OC12C(C(O)(CC1O)C)C(OC=C2)OC3OC(C(O)C(O)C3O)COC4OC(C(O)C(O)C4O)CO</smiles> is Stachyoside A. It is also related to or classified as glycoside . It is also related to or classified as iridoid monoterpenoid.
The molecule <smiles>CC(=O)NCCCC([NH3+])CC([O-])=O</smiles> is zwitterionic form of 6-acetamido-3-aminohexanoic acid. It is also related to or classified as amino-acid zwitterion.
The molecule <smiles>CC(C)CC(=O)C(O)=O</smiles> is A 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to accumulate in maple syrup urine disease. It has the role of human metabolite. It has the role of algal metabolite. Its functional parent is valeric acid. It is a conjugate acid of 4-methyl-2-oxopentanoate.  It is also related to or classified as 2-oxo monocarboxylic acid . It is also related to or classified as branched-chain keto acid.
The molecule <smiles>CC1=CC=C(O1)C(=O)N1CSCC1C(=O)NC1=NC=C(C)S1</smiles> is A furan that is substituted by {4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}carbonyl and methyl groups at positions 2 and 5, respectively. It is a glue degrader that induces the ubiquitination and degradation of cyclin K by prompting an interaction between CDK12:cyclin K with a CRL4B ligase complex. It is also related to or classified as secondary carboxamide . It is also related to or classified as tertiary carboxamide . It is also related to or classified as furans, thiazolidines, 1,3-thiazoles.