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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:10 UTC
Update Date2025-03-21 18:37:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115583
Frequency32.7
Structure
Chemical FormulaC6H5N5O
Molecular Mass163.0494
SMILESNc1ncc2[nH]cnc2c(=O)n1
InChI KeyAADXFSPPZUHMCR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazodiazepines
Subclass imidazodiazepines
Direct Parent imidazodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-diazepines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
    • Substituents
  • meta-diazepine
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • imidazo-meta-diazepine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • azole