CHEBI:144465 - 2,4-dihydroxyacetophenone-5-O-sulfate

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ChEBI Name 2,4-dihydroxyacetophenone-5-O-sulfate ChEBI ID CHEBI:144465 ChEBI ASCII Name 2,4-dihydroxyacetophenone-5-O-sulfate Definition An acetophenone substituted by hydroxy groups at positions 2 and 4, and by a sulfooxy group at position 5. It is a metabolite of the Chinese medicine 'Shuangdan' granule. Stars This entity has been manually annotated by the ChEBI Team. 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 C8H8O7S Net Charge 0 Average Mass 248.210 Monoisotopic Mass 247.99907 InChI InChI=1S/C8H8O7S/c1-4(9)5-2-8(15-16(12,13)14)7(11)3-6(5)10/h2-3,10-11H,1H3,(H,12,13,14) InChIKey CYVRFZMFCIXKPO-UHFFFAOYSA-N SMILES OC1=C(C=C(C(O)=C1)OS(O)(=O)=O)C(=O)C Metabolite of Species Details Rattus norvegicus (NCBI:txid10116) Found in blood plasma (BTO_0000131). See: PubMed Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Biological Role(s): xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 2,4-dihydroxyacetophenone-5-O-sulfate (CHEBI:144465) has role human urinary metabolite (CHEBI:84087) 2,4-dihydroxyacetophenone-5-O-sulfate (CHEBI:144465) has role human xenobiotic metabolite (CHEBI:76967) 2,4-dihydroxyacetophenone-5-O-sulfate (CHEBI:144465) has role rat metabolite (CHEBI:86264) 2,4-dihydroxyacetophenone-5-O-sulfate (CHEBI:144465) has role xenobiotic metabolite (CHEBI:76206) 2,4-dihydroxyacetophenone-5-O-sulfate (CHEBI:144465) is a acetophenones (CHEBI:22187) 2,4-dihydroxyacetophenone-5-O-sulfate (CHEBI:144465) is a aryl sulfate (CHEBI:37919) 2,4-dihydroxyacetophenone-5-O-sulfate (CHEBI:144465) is a phenols (CHEBI:33853) IUPAC Name 5-acetyl-2,4-dihydroxyphenyl hydrogen sulfate Synonym Source 5-acetyl-2,4-dihydroxyphenyl oxidanesulfonic acid ChEBI Citations Types Sources 16787733 PubMed citation Europe PMC 22680310 PubMed citation Europe PMC Last Modified 08 August 2019