5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide (CHEBI:88702)

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CHEBI:88702 - 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide

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ChEBI ID	CHEBI:88702
ChEBI Name	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
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Formula	C17H20O11
Net Charge	0
Average Mass	400.336
Monoisotopic Mass	400.10056
SMILES	O=C1CCC(Cc2cc(O)c(O)c(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)O1
InChI	InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7?,12-,13-,14+,15-,17?/m0/s1
InChIKey	VQHXMQYHVVQQFP-CXWHQSFFSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide (CHEBI:88702) is a isoflavones (CHEBI:38757)

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

Manual Xrefs	Databases
HMDB0059984	HMDB

Citations