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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:19 UTC
Update Date2025-03-25 00:53:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02197338
Frequency0.5
Structure
Chemical FormulaC12H12N2O4
Molecular Mass248.0797
SMILESCCC(=O)OC1C(=O)Nc2ccccc2NC1=O
InChI KeyBKWHHWUIFRTAJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodiazepines
Subclass benzodiazepines
Direct Parent benzodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • 1,4-diazepines
  • azacyclic compounds
  • benzenoids
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • azacycle
  • benzodiazepine
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • para-diazepine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound