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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:43 UTC
Update Date2025-03-25 00:49:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177915
Frequency0.5
Structure
Chemical FormulaC12H10N4O
Molecular Mass226.0855
SMILESCc1ccc(-n2cnc3c(=O)nc[nH]c32)cc1
InChI KeyAOODIEZUFJBSAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent phenylimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hypoxanthines
  • imidazoles
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • purines and purine derivatives
  • pyrimidones
  • toluenes
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • pyrimidone
  • imidazopyrimidine
  • pyrimidine
  • 1-phenylimidazole
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • n-substituted imidazole
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • hypoxanthine
  • hydrocarbon derivative
  • benzenoid
  • purine
  • organic nitrogen compound
  • toluene
  • organooxygen compound