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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:53:28 UTC
Update Date2025-03-25 01:37:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02463499
Frequency0.5
Structure
Chemical FormulaC9H13N
Molecular Mass135.1048
SMILESCN1C2=CC=CCC1CC2
InChI KeyABOURXNIQZOOOD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • enamines
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • azepine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • enamine