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

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ChEBI Name 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-sulphate ChEBI ID CHEBI:88693 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 C11H12O8S Net Charge 0 Average Mass 304.275 Monoisotopic Mass 304.02529 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 SMILES C=1(C=C(C=C(C1OS(=O)(=O)O)O)CC2OC(CC2)=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-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 Xref Database HMDB0059987 HMDB View more database links Citation Type Source 22827565 PubMed citation Europe PMC