3-[3-methoxy-4-(sulfooxy)phenyl]-2-oxopropanoic acid (CHEBI:168858)

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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	3-[3-methoxy-4-(sulfooxy)phenyl]-2-oxopropanoic acid

ChEBI ID	CHEBI:168858

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H10O8S

Net Charge

Average Mass

290.240

Monoisotopic Mass

290.00964

InChI

InChI=1S/C10H10O8S/c1-17-9-5-6(4-7(11)10(12)13)2-3-8(9)18-19(14,15)16/h2-3,5H,4H2,1H3,(H,12,13)(H,14,15,16)

InChIKey

DYMIWVZZOIJKLJ-UHFFFAOYSA-N

SMILES

S(OC1=C(OC)C=C(CC(=O)C(O)=O)C=C1)(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-[3-methoxy-4-(sulfooxy)phenyl]-2-oxopropanoic acid (CHEBI:168858) has functional parent pyruvic acid (CHEBI:32816) 3-[3-methoxy-4-(sulfooxy)phenyl]-2-oxopropanoic acid (CHEBI:168858) is a 2-oxo monocarboxylic acid (CHEBI:35910)

IUPAC Name

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