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CHEBI:228556 - 5-oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid

ChEBI IDCHEBI:228556
ChEBI Name5-oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12F3NO3
Net Charge0
Average Mass287.237
Monoisotopic Mass287.07693
SMILESO=C(O)C1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)10-3-1-8(2-4-10)6-17-7-9(12(19)20)5-11(17)18/h1-4,9H,5-7H2,(H,19,20)
InChIKeyMNYHTPPMXLOVSD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
5-oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid (CHEBI:228556) is a (trifluoromethyl)benzenes (CHEBI:83565)
IUPAC Name 
5-oxo-1-[[4-(triluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
Manual XrefsDatabases
2020826ChemSpider