(3-phenylpropoxy)sulfonic acid (CHEBI:184213)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(3-phenylpropoxy)sulfonic acid

ChEBI ID	CHEBI:184213

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H12O4S

Net Charge

Average Mass

216.250

Monoisotopic Mass

216.04563

InChI

InChI=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)

InChIKey

YLMGHAIVYBOKKH-UHFFFAOYSA-N

SMILES

S(OCCCC1=CC=CC=C1)(O)(=O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in serum (BTO:0001239). See: MetaboLights Study

ChEBI Ontology
Outgoing	(3-phenylpropoxy)sulfonic acid (CHEBI:184213) is a benzenes (CHEBI:22712)

IUPAC Name

3-phenylpropyl hydrogen sulate