2-oxo-3-(3,4,5-trihydroxyphenyl)propanoic acid (CHEBI:190906)

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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-oxo-3-(3,4,5-trihydroxyphenyl)propanoic acid

ChEBI ID	CHEBI:190906

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H8O6

Net Charge

Average Mass

212.157

Monoisotopic Mass

212.03209

InChI

InChI=1S/C9H8O6/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,10-11,13H,3H2,(H,14,15)

InChIKey

NDUHWAKMXZOUFX-UHFFFAOYSA-N

SMILES

OC1=CC(CC(=O)C(O)=O)=CC(O)=C1O

Metabolite of Species	Details
Oryza sativa (NCBI:txid4530)	Found in root (BTO:0001188). 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	2-oxo-3-(3,4,5-trihydroxyphenyl)propanoic acid (CHEBI:190906) has functional parent pyruvic acid (CHEBI:32816) 2-oxo-3-(3,4,5-trihydroxyphenyl)propanoic acid (CHEBI:190906) is a 2-oxo monocarboxylic acid (CHEBI:35910)

IUPAC Name

2-oxo-3-(3,4,5-trihydroxyphenyl)propanoic acid