CHEBI:88690 - 4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide

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ChEBI Name 4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide ChEBI ID CHEBI:88690 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C17H22O11 C17H22O11 Net Charge 0 Average Mass 402.352 Monoisotopic Mass 402.11621 InChI InChI=1S/C17H22O11/c18-8(5-7-1-3-9(19)10(20)6-7)2-4-11(21)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-20,22-24H,2,4-5H2,(H,25,26)/t8?,12-,13-,14+,15-,17+/m0/s1 InChIKey FZTBEBWSWJPSHQ-AHLSELSJSA-N SMILES C=1(C=C(C=CC1O)CC(CCC(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=O)O)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide (CHEBI:88690) is a O-acyl carbohydrate (CHEBI:52782) 4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide (CHEBI:88690) is a fatty acid derivative (CHEBI:61697) Synonym Source (2S,3S,4S,5R,6S)-6-{[5-(3,4-dihydroxyphenyl)-4-hydroxypentanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid HMDB Manual Xref Database HMDB0059971 HMDB View more database links Citation Type Source 22827565 PubMed citation Europe PMC Last Modified 28 April 2020