CHEBI:88716 - 3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate

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ChEBI Name 3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate ChEBI ID CHEBI:88716 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 C9H10O7S Net Charge 0 Average Mass 262.238 Monoisotopic Mass 262.01472 InChI InChI=1S/C9H10O7S/c10-7-3-1-2-6(4-7)8(11)5-9(12)16-17(13,14)15/h1-4,8,10-11H,5H2,(H,13,14,15) InChIKey MDWXOTLIYUYWJP-UHFFFAOYSA-N SMILES O(C(=O)CC(C1=CC(O)=CC=C1)O)S(=O)(=O)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate (CHEBI:88716) is a phenols (CHEBI:33853) Synonym Source sulfo 3-hydroxy-3-(3-hydroxyphenyl)propanoate HMDB Manual Xref Database HMDB0059967 HMDB View more database links Citations Types Sources 11978597 PubMed citation Europe PMC 20423563 PubMed citation Europe PMC 22827565 PubMed citation Europe PMC