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CHEBI:191908 - (2-methyl-3-phenylpropoxy)sulfonic acid

ChEBI IDCHEBI:191908
ChEBI Name(2-methyl-3-phenylpropoxy)sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O4S
Net Charge0
Average Mass230.285
Monoisotopic Mass230.06128
SMILESCC(COS(=O)(=O)O)Cc1ccccc1
InChIInChI=1S/C10H14O4S/c1-9(8-14-15(11,12)13)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,11,12,13)
InChIKeyPQVIKJWRWZEFAF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS4638)
ChEBI Ontology
Outgoing Relation(s)
(2-methyl-3-phenylpropoxy)sulfonic acid (CHEBI:191908) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
(2-methyl-3-phenylpropyl) hydrogen sulate
Manual XrefsDatabases
74853410ChemSpider