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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:55 UTC
Update Date2025-03-25 00:57:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226458
Frequency0.5
Structure
Chemical FormulaC12H19N2O3+
Molecular Mass239.139
SMILESCC(N)c1ccc[n+](C2CC(O)C(CO)O2)c1
InChI KeyCZAVXLZVQMHEFT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydroxypyridines
Direct Parent hydroxypyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • monoalkylamines
  • monosaccharides
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • monosaccharide
  • methylpyridine
  • oxacycle
  • saccharide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • primary alcohol
  • organooxygen compound