Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:18 UTC
Update Date2025-03-21 18:36:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111079
Frequency24.0
Structure
Chemical FormulaC10H14N2O
Molecular Mass178.1106
SMILESCN1CCCC1c1cc[n+]([O-])cc1
InChI KeyBLKUIAPJPKOACE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • aralkylamine
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine