Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:24 UTC
Update Date2025-03-21 18:34:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099027
Frequency27.7
Structure
Chemical FormulaC8H12N+
Molecular Mass122.0964
SMILESCCc1ccc[n+](C)c1
InChI KeyOLOJVDZXVFIAFJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent n-methylpyridinium compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation