5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl (CHEBI:89538)

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CHEBI:89538 - 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl

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ChEBI ID	CHEBI:89538
ChEBI Name	5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl
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Downloads	Molfile

Formula	C12H14O7S
Net Charge	0
Average Mass	302.304
Monoisotopic Mass	302.04602
SMILES	COS(=O)(=O)Oc1cc(O)cc(CC2CCC(=O)O2)c1
InChI	InChI=1S/C12H14O7S/c1-17-20(15,16)19-11-6-8(4-9(13)7-11)5-10-2-3-12(14)18-10/h4,6-7,10,13H,2-3,5H2,1H3
InChIKey	FXGBBWWEXQWRKV-UHFFFAOYSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl (CHEBI:89538) is a phenols (CHEBI:33853)

Synonym	Source
3-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenyl methyl sulfate	HMDB

Manual Xrefs	Databases
HMDB0060031	HMDB

Citations