CHEBI:88750 - 5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate ChEBI ID CHEBI:88750 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 C11H12O6S Net Charge 0 Average Mass 272.276 Monoisotopic Mass 272.03546 InChI InChI=1S/C11H12O6S/c12-11-5-4-9(16-11)6-8-2-1-3-10(7-8)17-18(13,14)15/h1-3,7,9H,4-6H2,(H,13,14,15) InChIKey DPRDYFJWDRNYAZ-UHFFFAOYSA-N SMILES C=1(C=C(C=CC1)CC2CCC(O2)=O)OS(=O)(=O)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate (CHEBI:88750) is a sulfuric ester (CHEBI:26819) Synonym Source {3-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid HMDB Manual Xref Database HMDB0059993 HMDB View more database links Citation Type Source 22827565 PubMed citation Europe PMC