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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:44 UTC
Update Date2025-03-25 00:57:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226042
Frequency0.5
Structure
Chemical FormulaC13H16N4O6
Molecular Mass324.107
SMILESCC(=O)Nc1cc2ncn(C3OC(CO)C(O)C3O)c2c(=O)[nH]1
InChI KeyYXJJUUHXKAQHQV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazopyridines
Subclass imidazopyridines
Direct Parent imidazopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidazoles
  • lactams
  • methylpyridines
  • monosaccharides
  • n-acetylarylamines
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • primary alcohols
  • pyridinones
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • lactam
  • n-acetylarylamine
  • polyhalopyridine
  • monosaccharide
  • n-arylamide
  • imidazopyridine
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • primary alcohol
  • acetamide
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound