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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:00 UTC
Update Date2025-03-25 00:56:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219875
Frequency0.5
Structure
Chemical FormulaC11H17N2O2+
Molecular Mass209.1285
SMILESC[N+]1(C)CC(O)C(O)C1c1cccnc1
InChI KeyHSPJPOITGRPQJK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1,2-diols
  • alkaloids and derivatives
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • n-alkylpyrrolidines
  • organic cations
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • tetraalkylammonium salts
  • Substituents
  • aromatic heteromonocyclic compound
  • pyrrolidinylpyridine
  • aralkylamine
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • pyrrolidine
  • 1,2-diol
  • alcohol
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • quaternary ammonium salt
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • alkaloid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound