3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid (CHEBI:169175)

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ChEBI Name	3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid

ChEBI ID	CHEBI:169175

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H8O8S

Net Charge

Average Mass

276.220

Monoisotopic Mass

275.99399

InChI

InChI=1S/C9H8O8S/c10-6-2-1-5(3-7(11)9(12)13)4-8(6)17-18(14,15)16/h1-2,4,10H,3H2,(H,12,13)(H,14,15,16)

InChIKey

OYGZUDCFIYVFLR-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid (CHEBI:169175) has functional parent pyruvic acid (CHEBI:32816) 3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid (CHEBI:169175) is a 2-oxo monocarboxylic acid (CHEBI:35910)

IUPAC Name

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