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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:23 UTC
Update Date2025-03-25 00:57:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227449
Frequency0.5
Structure
Chemical FormulaC8H11N
Molecular Mass121.0891
SMILESC=CC1CN2C=CC1C2
InChI KeyDBLSMRYGWXWOJB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • enamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrrolidines
  • pyrrolines
  • trialkylamines
    • Substituents
  • azacycle
  • tertiary aliphatic amine
  • tetrahydropyridine
  • aliphatic heteropolycyclic compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • enamine