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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:47:47 UTC
Update Date2025-03-25 00:27:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02033048
Frequency0.6
Structure
Chemical FormulaC7H8N2O
Molecular Mass136.0637
SMILESCn1ccc2c1CC(=O)N2
InChI KeyQYCHCUJBZULNQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • n-methylpyrroles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • n-methylpyrrole
  • lactam
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound