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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:21:25 UTC
Update Date2025-03-24 20:17:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01398196
Frequency0.9
Structure
Chemical FormulaC7H8N2O
Molecular Mass136.0637
SMILESCc1cccc(N)nc1=O
InChI KeySNGUKBWFLBRUOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • azepine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound