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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:14 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172131
Frequency0.5
Structure
Chemical FormulaC12H16N2O
Molecular Mass204.1263
SMILESCN1C2CC(C(O)c3cccnc3)C1C2
InChI KeyQMPGZYSWIUBNQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydroxypyridines
Direct Parent hydroxypyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • aromatic alcohols
  • azacyclic compounds
  • azetidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • methylpyridine
  • azetidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound