5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-sulphate (CHEBI:88693)

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CHEBI:88693 - 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-sulphate

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ChEBI ID	CHEBI:88693
ChEBI Name	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-sulphate
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Formula	C11H12O8S
Net Charge	0
Average Mass	304.276
Monoisotopic Mass	304.02529
SMILES	O=C1CCC(Cc2cc(O)c(OS(=O)(=O)O)c(O)c2)O1
InChI	InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(14)18-7)5-9(13)11(8)19-20(15,16)17/h4-5,7,12-13H,1-3H2,(H,15,16,17)
InChIKey	NPIMUIQBYBJSBB-UHFFFAOYSA-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-sulphate (CHEBI:88693) is a resorcinols (CHEBI:33572)

Synonym	Source
{2,6-dihydroxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid	HMDB

Manual Xrefs	Databases
HMDB0059987	HMDB

Citations