Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:53 UTC
Update Date2025-03-25 00:56:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217253
Frequency0.5
Structure
Chemical FormulaC8H12NO+
Molecular Mass138.0913
SMILESCc1ccc[n+](C)c1CO
InChI KeyZLFCOBNKIBTESI-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
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • n-methylpyridinium compounds
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic alcohol
  • alcohol
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation
  • organooxygen compound