CHEBI:133148 - γ-CEHC β-glucuronide

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ChEBI Name γ-CEHC β-glucuronide ChEBI ID CHEBI:133148 ChEBI ASCII Name gamma-CEHC beta-glucuronide Definition A member of the class of chromanes that is γ-CEHC in which the phenolic hydrogen is replaced by a β-glucuronosyl residue. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H28O10 Net Charge 0 Average Mass 440.442 Monoisotopic Mass 440.16825 InChI InChI=1S/C21H28O10/c1-9-10(2)17-11(4-6-21(3,31-17)7-5-13(22)23)8-12(9)29-20-16(26)14(24)15(25)18(30-20)19(27)28/h8,14-16,18,20,24-26H,4-7H2,1-3H3,(H,22,23)(H,27,28)/t14-,15-,16+,18-,20+,21?/m0/s1 InChIKey NOZSTAZEOBPSBY-LWNJIDTBSA-N SMILES O1C(CCC=2C1=C(C(=C(C2)O[C@@H]3O[C@H](C(O)=O)[C@H]([C@H](O)[C@H]3O)O)C)C)(CCC(=O)O)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing γ-CEHC β-glucuronide (CHEBI:133148) has functional parent γ-CEHC (CHEBI:89379) γ-CEHC β-glucuronide (CHEBI:133148) has role human metabolite (CHEBI:77746) γ-CEHC β-glucuronide (CHEBI:133148) is a β-D-glucosiduronic acid (CHEBI:15341) γ-CEHC β-glucuronide (CHEBI:133148) is a chromanes (CHEBI:23230) γ-CEHC β-glucuronide (CHEBI:133148) is a dicarboxylic acid (CHEBI:35692) γ-CEHC β-glucuronide (CHEBI:133148) is conjugate acid of γ-CEHC β-glucuronide anion (CHEBI:133149) Incoming γ-CEHC β-glucuronide anion (CHEBI:133149) is conjugate base of γ-CEHC β-glucuronide (CHEBI:133148) IUPAC Name 2-(2-carboxyethyl)-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl β-D-glucopyranosiduronic acid Synonyms Sources 2,7,8-trimethyl-2-(β-carboxyethyl)-6-hydroxychroman β-D-glucuronide ChEBI 2,7,8-trimethyl-2-(β-carboxyethyl)-6-hydroxychroman β-glucuronide ChEBI γ-CEHC β-D-glucuronide ChEBI gamma-CEHC glucuronide ChEBI Citation Type Source 26317986 PubMed citation Europe PMC Last Modified 25 August 2016