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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:26:00 UTC
Update Date2025-03-24 20:45:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01552897
Frequency0.8
Structure
Chemical FormulaC9H13N
Molecular Mass135.1048
SMILESC=CC1CC2C=CC1N2C
InChI KeySSHPGEWDVWDZIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrrolines
  • trialkylamines
    • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine