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CHEBI:210771 - (2R,3S)-2-hydroxy-3-phenyl-4-oxoheptanedioic acid

ChEBI IDCHEBI:210771
ChEBI Name(2R,3S)-2-hydroxy-3-phenyl-4-oxoheptanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O6
Net Charge0
Average Mass266.249
Monoisotopic Mass266.07904
SMILESO=C(O)CCC(=O)[C@@H](c1ccccc1)[C@@H](O)C(=O)O
InChIInChI=1S/C13H14O6/c14-9(6-7-10(15)16)11(12(17)13(18)19)8-4-2-1-3-5-8/h1-5,11-12,17H,6-7H2,(H,15,16)(H,18,19)/t11-,12-/m1/s1
InChIKeyGCQJMNVLMWUZMM-VXGBXAGGSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (30807789)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2-hydroxy-3-phenyl-4-oxoheptanedioic acid (CHEBI:210771) is a benzenes (CHEBI:22712)
(2R,3S)-2-hydroxy-3-phenyl-4-oxoheptanedioic acid (CHEBI:210771) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
(2R,3S)-2-hydroxy-4-oxo-3-phenylheptanedioic acid