EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:143237 - 2-O-sulfate-4-hydroxyacetophenone

ChEBI IDCHEBI:143237
ChEBI Name2-O-sulfate-4-hydroxyacetophenone
Stars
ASCII Name2-O-sulfate-4-hydroxyacetophenone
DefinitionAn acetophenone substituted by a sulfooxy group at position 2 and by a hydroxy group at position 4.
Last Modified8 August 2019
Submittermwilliams
DownloadsMolfile
FormulaC8H8O6S
Net Charge0
Average Mass232.213
Monoisotopic Mass232.00416
SMILESCC(=O)c1ccc(O)cc1OS(=O)(=O)O
InChIInChI=1S/C8H8O6S/c1-5(9)7-3-2-6(10)4-8(7)14-15(11,12)13/h2-4,10H,1H3,(H,11,12,13)
InChIKeyCOXWPCPYWFBNJH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS650) Strain: C57BL/6J
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-O-sulfate-4-hydroxyacetophenone (CHEBI:143237) has role mouse metabolite (CHEBI:75771)
2-O-sulfate-4-hydroxyacetophenone (CHEBI:143237) is a acetophenones (CHEBI:22187)
2-O-sulfate-4-hydroxyacetophenone (CHEBI:143237) is a aryl sulfate (CHEBI:37919)
2-O-sulfate-4-hydroxyacetophenone (CHEBI:143237) is a phenols (CHEBI:33853)
IUPAC Name 
2-acetyl-5-hydroxyphenyl hydrogen sulfate
Synonym  Source
2,4-dihydroxyacetophenone 5-sulfateChEBI
Manual XrefsDatabases
10657183PubChem Compound
HMDB0041646HMDB
FDB029801FooDB