CHEBI:133689 - catechol β-D-glucuronide

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ChEBI Name catechol β-D-glucuronide ChEBI ID CHEBI:133689 ChEBI ASCII Name catechol beta-D-glucuronide Definition A glucosiduronic acid that is β-D-glucuronic acid in which the anomeric hydroxyl hydrogen has been replaced by a 2-hydroxyphenyl group. 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 C12H14O8 Net Charge 0 Average Mass 286.235 Monoisotopic Mass 286.06887 InChI InChI=1S/C12H14O8/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1 InChIKey ICPYZFZFSLTYID-GOVZDWNOSA-N SMILES C=1C=CC=C(C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing catechol β-D-glucuronide (CHEBI:133689) has functional parent catechol (CHEBI:18135) catechol β-D-glucuronide (CHEBI:133689) has role mouse metabolite (CHEBI:75771) catechol β-D-glucuronide (CHEBI:133689) is a glucosiduronic acid (CHEBI:24302) catechol β-D-glucuronide (CHEBI:133689) is a phenols (CHEBI:33853) catechol β-D-glucuronide (CHEBI:133689) is conjugate acid of catechol β-D-glucuronide(1−) (CHEBI:133691) Incoming catechol β-D-glucuronide(1−) (CHEBI:133691) is conjugate base of catechol β-D-glucuronide (CHEBI:133689) IUPAC Name 2-hydroxyphenyl β-D-glucopyranosiduronic acid Synonyms Sources 2-hydroxyphenyl β-D-glucosiduronic acid ChEBI 2-hydroxyphenyl β-D-glucuronide ChEBI 2-Hydroxyphenyl-beta-D-glucopyranosiduronic acid ChemIDplus catechol β-glucuronide ChEBI catechol glucuronide ChEBI Diphenol glucuronide HMDB Manual Xref Database HMDB0059998 HMDB View more database links Registry Numbers Types Sources 28151899 Reaxys Registry Number Reaxys 28623-57-6 CAS Registry Number ChemIDplus Citation Type Source 1687010 PubMed citation Europe PMC Last Modified 07 October 2016