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CHEBI:184489 - [(1-oxo-3-phenylpropan-2-yl)oxy]sulfonic acid

ChEBI IDCHEBI:184489
ChEBI Name[(1-oxo-3-phenylpropan-2-yl)oxy]sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O5S
Net Charge0
Average Mass230.241
Monoisotopic Mass230.02489
SMILESO=CC(Cc1ccccc1)OS(=O)(=O)O
InChIInChI=1S/C9H10O5S/c10-7-9(14-15(11,12)13)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12,13)
InChIKeyFZDSZMRLOHOTIB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
[(1-oxo-3-phenylpropan-2-yl)oxy]sulfonic acid (CHEBI:184489) is a benzenes (CHEBI:22712)
IUPAC Name 
(1-oxo-3-phenylpropan-2-yl) hydrogen sulate
Manual XrefsDatabases
HMDB0135295HMDB
74853783ChemSpider