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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:52:18 UTC
Update Date2025-03-24 21:22:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01759524
Frequency0.7
Structure
Chemical FormulaC6H9NO
Molecular Mass111.0684
SMILESOC1CC2C=NC1C2
InChI KeyNKUKQQCCBCJIBN-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
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • imine
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • cyclic alcohol
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • pyrroline
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound