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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:33 UTC
Update Date2025-03-25 00:51:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188880
Frequency0.5
Structure
Chemical FormulaC12H16N2O2
Molecular Mass220.1212
SMILESCC(O)C(O)C1=NC(c2cccnc2)CC1
InChI KeyYPVXGBVBWDQSDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydroxypyridines
Direct Parent hydroxypyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • methylpyridines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary alcohols
    • Substituents
  • alcohol
  • ketimine
  • aromatic heteromonocyclic compound
  • azacycle
  • imine
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • pyrroline
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • 1,2-diol