CHEBI:88682 - 4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate

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ChEBI Name 4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate ChEBI ID CHEBI:88682 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 Formulae C11H14O7S C11H14O7S Net Charge 0 Average Mass 290.290 Monoisotopic Mass 290.04602 InChI InChI=1S/C11H14O7S/c12-9(4-5-11(13)14)6-8-2-1-3-10(7-8)18-19(15,16)17/h1-3,7,9,12H,4-6H2,(H,13,14)(H,15,16,17) InChIKey DMBFBGLRQKIWGT-UHFFFAOYSA-N SMILES C=1(C=C(C=CC1)CC(CCC(O)=O)O)OS(=O)(=O)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate (CHEBI:88682) is a alkyl sulfate (CHEBI:29281) 4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate (CHEBI:88682) is a fatty acid derivative (CHEBI:61697) Synonym Source 4-hydroxy-5-[3-(sulfooxy)phenyl]pentanoic acid HMDB Manual Xref Database HMDB0059975 HMDB View more database links Citation Type Source 22827565 PubMed citation Europe PMC Last Modified 28 April 2020