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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:08:21 UTC
Update Date2025-03-24 21:02:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01653929
Frequency0.8
Structure
Chemical FormulaC8H9NO
Molecular Mass135.0684
SMILESCC12C=CC=C(C1)NC2=O
InChI KeyGGYIBSYGUJCNEG-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
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • azepine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound