Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:24:46 UTC
Update Date2025-03-24 20:44:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01549935
Frequency0.8
Structure
Chemical FormulaC6H9NO
Molecular Mass111.0684
SMILESOC12C=CN(CC1)C2
InChI KeyFFEBWBJWXFSZLD-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
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • tetrahydropyridine
  • aliphatic heteropolycyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound
  • enamine