5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (CHEBI:88695)

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CHEBI:88695 - 5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide

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ChEBI ID	CHEBI:88695
ChEBI Name	5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
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Formula	C17H20O10
Net Charge	0
Average Mass	384.337
Monoisotopic Mass	384.10565
SMILES	O=C1CCC(Cc2ccc(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)O1
InChI	InChI=1S/C17H20O10/c18-9-6-7(5-8-2-4-11(19)25-8)1-3-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8?,12-,13-,14+,15-,17+/m1/s1
InChIKey	OTBJYBQGMPICIK-GHPVWUPISA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	PubMed (22827565)

ChEBI Ontology

Outgoing Relation(s)
	5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (CHEBI:88695) is a glucosiduronic acid (CHEBI:24302)

Synonym	Source
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid	HMDB

Manual Xrefs	Databases
HMDB0059989	HMDB

Citations