Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:39 UTC
Update Date2025-03-25 00:49:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175380
Frequency0.5
Structure
Chemical FormulaC10H15N2O+
Molecular Mass179.1179
SMILESC[N+](C)(C)Cc1cccc(C=O)n1
InChI KeyFECCETNRXPDZRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridinecarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • 6-substituted-2-pyridinylmethylamines
  • aralkylamines
  • aryl-aldehydes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic cations
  • organic oxides
  • organic salts
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridine carboxaldehydes
  • tetraalkylammonium salts
  • Substituents
  • pyridine carboxylic acid or derivatives
  • aromatic heteromonocyclic compound
  • 2-pyridylmethylamine
  • polyhalopyridine
  • aralkylamine
  • organic oxide
  • aryl-aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • organic salt
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • heteroaromatic compound
  • aldehyde
  • methylpyridine
  • 2-pyridine carboxaldehyde
  • organic oxygen compound
  • 6-substituted-2-pyridinylmethylamine
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound