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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:26:22 UTC
Update Date2025-03-24 16:50:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00977731
Frequency1.5
Structure
Chemical FormulaC7H7NO2
Molecular Mass137.0477
SMILESCC1=CC2C(=O)NC(=O)C12
InChI KeyQOIMOSGSLMKEJL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • n-unsubstituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • azacycle
  • carboxylic acid derivative
  • carboxylic acid imide
  • aliphatic heteropolycyclic compound
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • organic oxygen compound
  • azepine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • dicarboximide
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound