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CHEBI:184213 - (3-phenylpropoxy)sulfonic acid

ChEBI IDCHEBI:184213
ChEBI Name(3-phenylpropoxy)sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O4S
Net Charge0
Average Mass216.258
Monoisotopic Mass216.04563
SMILESO=S(=O)(O)OCCCc1ccccc1
InChIInChI=1S/C9H12O4S/c10-14(11,12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,10,11,12)
InChIKeyYLMGHAIVYBOKKH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
(3-phenylpropoxy)sulfonic acid (CHEBI:184213) is a benzenes (CHEBI:22712)
IUPAC Name 
3-phenylpropyl hydrogen sulate
Manual XrefsDatabases
HMDB0135313HMDB
74853792ChemSpider