5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (CHEBI:88692)

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CHEBI:88692 - 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide

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ChEBI ID	CHEBI:88692
ChEBI Name	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-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@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)O1
InChI	InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(20)26-7)5-9(19)14(8)27-17-13(23)11(21)12(22)15(28-17)16(24)25/h4-5,7,11-13,15,17-19,21-23H,1-3H2,(H,24,25)/t7?,11-,12-,13+,15-,17+/m0/s1
InChIKey	ATYNVCXMADLPJQ-YSVLGHOVSA-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-4'-O-glucuronide (CHEBI:88692) is a glucosiduronic acid (CHEBI:24302)

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

Manual Xrefs	Databases
HMDB0059986	HMDB

Citations