CHEBI:89287 - 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide

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ChEBI Name 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide ChEBI ID CHEBI:89287 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 Formula C18H22O10 Net Charge 0 Average Mass 398.362 Monoisotopic Mass 398.12130 InChI InChI=1S/C18H22O10/c19-9-3-1-7(5-8-2-4-11(20)27-8)6-10(9)28-17-12(18(25)26)13(21)14(22)15(23)16(17)24/h1,3,6,8,12-17,19,21-24H,2,4-5H2,(H,25,26) InChIKey RALBOGKBFZBDKY-UHFFFAOYSA-N SMILES C1CC(OC1CC=2C=C(C(=CC2)O)OC3C(C(C(C(C3C(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 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide (CHEBI:89287) is a methoxybenzenes (CHEBI:51683) 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide (CHEBI:89287) is a phenols (CHEBI:33853) Synonym Source 2,3,4,5-tetrahydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}cyclohexane-1-carboxylic acid HMDB Manual Xref Database HMDB0029190 HMDB View more database links Citation Type Source 22827565 PubMed citation Europe PMC