CHEBI:89551 - 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-O-methyl-O-sulphate

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ChEBI Name 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-O-methyl-O-sulphate ChEBI ID CHEBI:89551 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 C12H14O9S Net Charge 0 Average Mass 334.301 Monoisotopic Mass 334.03585 InChI InChI=1S/C12H14O9S/c13-9-4-7(3-8-1-2-11(14)21-8)5-10(12(9)15)19-6-20-22(16,17)18/h4-5,8,13,15H,1-3,6H2,(H,16,17,18) InChIKey KDFRMSXAKYPTNJ-UHFFFAOYSA-N SMILES C=1(C=C(C=C(C1O)O)CC2OC(CC2)=O)OCOS(=O)(=O)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-O-methyl-O-sulphate (CHEBI:89551) is a isoflavones (CHEBI:38757) Synonym Source {2,3-dihydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxymethoxy}sulfonic acid HMDB Manual Xref Database HMDB0060029 HMDB View more database links Citation Type Source 22827565 PubMed citation Europe PMC