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CHEBI:193818 - (3-oxo-1-phenylpropoxy)sulfonic acid

ChEBI IDCHEBI:193818
ChEBI Name(3-oxo-1-phenylpropoxy)sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O5S
Net Charge0
Average Mass230.241
Monoisotopic Mass230.02489
SMILESO=CCC(OS(=O)(=O)O)c1ccccc1
InChIInChI=1S/C9H10O5S/c10-7-6-9(14-15(11,12)13)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12,13)
InChIKeyQFSHDROXFZHRPJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
(3-oxo-1-phenylpropoxy)sulfonic acid (CHEBI:193818) is a benzenes (CHEBI:22712)
IUPAC Name 
(3-oxo-1-phenylpropyl) hydrogen sulate
Manual XrefsDatabases
74853784ChemSpider