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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:17:40 UTC
Update Date2025-03-24 20:15:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01389409
Frequency0.9
Structure
Chemical FormulaC7H11N2O+
Molecular Mass139.0866
SMILESC[n+]1ccc(O)c(CN)c1
InChI KeyGTVNRIMMMAUEFL-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkylamines
  • n-methylpyridinium compounds
  • organic cations
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organooxygen compound