5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide (CHEBI:88748)

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CHEBI:88748 - 5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide

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ChEBI ID	CHEBI:88748
ChEBI Name	5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide
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Formula	C18H22O10
Net Charge	0
Average Mass	398.364
Monoisotopic Mass	398.12130
SMILES	COc1ccc(CC2CCC(=O)O2)cc1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C18H22O10/c1-25-10-4-2-8(6-9-3-5-12(19)26-9)7-11(10)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h2,4,7,9,13-16,18,20-22H,3,5-6H2,1H3,(H,23,24)/t9?,13-,14-,15+,16-,18+/m1/s1
InChIKey	VZGJAVFCUBLIJF-ZOQSEFCISA-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-methyl-3'-O-glucuronide (CHEBI:88748) is a glucosiduronic acid (CHEBI:24302)

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

Manual Xrefs	Databases
HMDB0059990	HMDB

Citations