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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:48 UTC
Update Date2025-03-21 18:04:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050031
Frequency83.7
Structure
Chemical FormulaC12H15NO
Molecular Mass189.1154
SMILESOC1=NC(Cc2ccccc2)CCC1
InChI KeyXAOAHAPHXCMXHY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound