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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:47 UTC
Update Date2025-03-25 00:59:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235140
Frequency0.5
Structure
Chemical FormulaC11H14N4O4
Molecular Mass266.1015
SMILESCc1cc2ncn(C3OC(CO)C(O)C3O)c2nn1
InChI KeyRTOAOAZLNWVTMK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyridazines and derivatives
Direct Parent pyridazines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monosaccharides
  • n-substituted imidazoles
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • pyridazine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound
  • azole
  • n-substituted imidazole