3-(4-methoxyphenyl)-2-oxopropanoic acid (CHEBI:193985)

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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-(4-methoxyphenyl)-2-oxopropanoic acid

ChEBI ID	CHEBI:193985

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

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C10H10O4

Net Charge

Average Mass

194.186

Monoisotopic Mass

194.05791

InChI

InChI=1S/C10H10O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5H,6H2,1H3,(H,12,13)

InChIKey

AOPNPZIOVIPWMF-UHFFFAOYSA-N

SMILES

O(C1=CC=C(CC(=O)C(O)=O)C=C1)C

Metabolite of Species	Details
synthetic microbial community (NCBI:txid3229850)	Found in Whole Organism (NCIT:C13413). 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-methoxyphenyl)-2-oxopropanoic acid (CHEBI:193985) has functional parent pyruvic acid (CHEBI:32816) 3-(4-methoxyphenyl)-2-oxopropanoic acid (CHEBI:193985) is a 2-oxo monocarboxylic acid (CHEBI:35910)

IUPAC Name

3-(4-methoxyphenyl)-2-oxopropanoic acid