Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:43:34 UTC
Update Date2025-03-24 14:33:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00874867
Frequency1.7
Structure
Chemical FormulaC9H14N+
Molecular Mass136.1121
SMILESCc1ccc(C)[n+](C)c1C
InChI KeyFNNBEGLZMXZRCT-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
  • 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
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation