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

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ChEBI Name 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl ChEBI ID CHEBI:89538 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H14O7S Net Charge 0 Average Mass 302.302 Monoisotopic Mass 302.04602 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 SMILES C=1(C=C(C=C(C1)O)CC2OC(CC2)=O)OS(=O)(=O)OC Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 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 Xref Database HMDB0060031 HMDB View more database links Citation Type Source 22827565 PubMed citation Europe PMC