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CHEBI:192650 - 4-oxo-4-[(1-phenylethyl)amino]but-2-enoic acid

ChEBI IDCHEBI:192650
ChEBI Name4-oxo-4-[(1-phenylethyl)amino]but-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NO3
Net Charge0
Average Mass219.240
Monoisotopic Mass219.08954
SMILESCC(NC(=O)C=CC(=O)O)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(15)16/h2-9H,1H3,(H,13,14)(H,15,16)
InChIKeyYBCNEBVTRKGSFM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
4-oxo-4-[(1-phenylethyl)amino]but-2-enoic acid (CHEBI:192650) is a benzenes (CHEBI:22712)
IUPAC Name 
4-oxo-4-(1-phenylethylamino)but-2-enoic acid
Manual XrefsDatabases
254980ChemSpider