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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:50:41 UTC
Update Date2025-03-21 22:58:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00605958
Frequency2.7
Structure
Chemical FormulaC8H13N
Molecular Mass123.1048
SMILESCC1(C)C2C=NC1CC2
InChI KeyXHXWYMBLVVVAFL-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
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
    • Substituents
  • azacycle
  • imine
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound