2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid (CHEBI:176477)

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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	2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid

ChEBI ID	CHEBI:176477

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H8O7S

Net Charge

Average Mass

248.210

Monoisotopic Mass

247.99907

InChI

InChI=1S/C8H8O7S/c9-6-2-1-5(4-8(10)11)3-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)

InChIKey

KAIXMDKRVHGWDK-UHFFFAOYSA-N

SMILES

S(OC=1C=C(CC(O)=O)C=CC1O)(O)(=O)=O

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

ChEBI Ontology
Outgoing	2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid (CHEBI:176477) is a aryl sulfate (CHEBI:37919)

IUPAC Name

2-(4-hydroxy-3-sulooxyphenyl)acetic acid