Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:42:18 UTC
Update Date2025-03-21 18:48:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00162842
Frequency14.6
Structure
Chemical FormulaC8H9N2+
Molecular Mass133.076
SMILESC[n+]1ccc2cc[nH]c2c1
InChI KeyAEHCLAQLEXSDNH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • pyridines and derivatives
  • pyrroles
  • Substituents
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation