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CHEBI:184995 - (2-oxo-1,2-diphenylethoxy)sulfonic acid

ChEBI IDCHEBI:184995
ChEBI Name(2-oxo-1,2-diphenylethoxy)sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12O5S
Net Charge0
Average Mass292.312
Monoisotopic Mass292.04054
SMILESO=C(c1ccccc1)C(OS(=O)(=O)O)c1ccccc1
InChIInChI=1S/C14H12O5S/c15-13(11-7-3-1-4-8-11)14(19-20(16,17)18)12-9-5-2-6-10-12/h1-10,14H,(H,16,17,18)
InChIKeyWERSDNPOIDKUHA-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)
(2-oxo-1,2-diphenylethoxy)sulfonic acid (CHEBI:184995) is a benzoins (CHEBI:51586)
IUPAC Name 
(2-oxo-1,2-diphenylethyl) hydrogen sulate
Manual XrefsDatabases
74853747ChemSpider
HMDB0135190HMDB