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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:49:41 UTC
Update Date2025-03-24 21:21:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01753504
Frequency0.7
Structure
Chemical FormulaC8H13N2+
Molecular Mass137.1073
SMILESCc1ccc(CN)c[n+]1C
InChI KeyLSYHOEHOEMZUPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • n-methylpyridinium compounds
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • pyridines and derivatives
    • Substituents
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation