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CHEBI:169334 - N-Benzoylaspartic acid

ChEBI IDCHEBI:169334
ChEBI NameN-Benzoylaspartic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11NO5
Net Charge0
Average Mass237.211
Monoisotopic Mass237.06372
SMILESO=C(O)CC(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H11NO5/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17)
InChIKeyDJLTZJGULPLVOA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
N-Benzoylaspartic acid (CHEBI:169334) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
2-benzamidobutanedioic acid
Manual XrefsDatabases
86355ChemSpider
HMDB0034251HMDB
Registry NumbersSources
CAS:4631-12-3ChemIDplus