4-Methylcatechol 1-O-sulfate (CHEBI:176442)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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-Methylcatechol 1-O-sulfate

ChEBI ID	CHEBI:176442

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H8O5S

Net Charge

Average Mass

204.200

Monoisotopic Mass

204.00924

InChI

InChI=1S/C7H8O5S/c1-5-2-3-7(6(8)4-5)12-13(9,10)11/h2-4,8H,1H3,(H,9,10,11)

InChIKey

NCOMUGOPQPRVSE-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-Methylcatechol 1-O-sulfate (CHEBI:176442) is a aryl sulfate (CHEBI:37919)

IUPAC Name

(2-hydroxy-4-methylphenyl) hydrogen sulate