(4-ethyl-2-methoxyphenyl)oxidanesulfonic acid (CHEBI:180725)

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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	(4-ethyl-2-methoxyphenyl)oxidanesulfonic acid

ChEBI ID	CHEBI:180725

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

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C9H12O5S

Net Charge

Average Mass

232.250

Monoisotopic Mass

232.04054

InChI

InChI=1S/C9H12O5S/c1-3-7-4-5-8(9(6-7)13-2)14-15(10,11)12/h4-6H,3H2,1-2H3,(H,10,11,12)

InChIKey

MKBJQFWSHNXYFZ-UHFFFAOYSA-N

SMILES

S(OC1=C(OC)C=C(CC)C=C1)(O)(=O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133).

ChEBI Ontology
Outgoing	(4-ethyl-2-methoxyphenyl)oxidanesulfonic acid (CHEBI:180725) is a aryl sulfate (CHEBI:37919)

IUPAC Name

(4-ethyl-2-methoxyphenyl) hydrogen sulate