{[1-(2-hydroxyphenyl)-3-oxopropan-2-yl]oxy}sulfonic acid (CHEBI:184576)

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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	{[1-(2-hydroxyphenyl)-3-oxopropan-2-yl]oxy}sulfonic acid

ChEBI ID	CHEBI:184576

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H10O6S

Net Charge

Average Mass

246.230

Monoisotopic Mass

246.01981

InChI

InChI=1S/C9H10O6S/c10-6-8(15-16(12,13)14)5-7-3-1-2-4-9(7)11/h1-4,6,8,11H,5H2,(H,12,13,14)

InChIKey

PHXNRGQRORYPBP-UHFFFAOYSA-N

SMILES

S(OC(CC=1C(O)=CC=CC1)C=O)(O)(=O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	{[1-(2-hydroxyphenyl)-3-oxopropan-2-yl]oxy}sulfonic acid (CHEBI:184576) is a phenols (CHEBI:33853)

IUPAC Name

[1-(2-hydroxyphenyl)-3-oxopropan-2-yl] hydrogen sulate