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

ChEBI IDCHEBI:190906
ChEBI Name2-oxo-3-(3,4,5-trihydroxyphenyl)propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O6
Net Charge0
Average Mass212.157
Monoisotopic Mass212.03209
SMILESO=C(O)C(=O)Cc1cc(O)c(O)c(O)c1
InChIInChI=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)
InChIKeyNDUHWAKMXZOUFX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
74851665ChemSpider
HMDB0125210HMDB