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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:02 UTC
Update Date2025-03-25 00:47:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164815
Frequency0.5
Structure
Chemical FormulaC9H12N6O3
Molecular Mass252.0971
SMILESCC(O)C(O)c1nc2c(N)nc(N)[nH]c(=O)c-2n1
InChI KeyMTPXEBSEPXOTCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazodiazepines
Subclass imidazodiazepines
Direct Parent imidazodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1,3-diazepines
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • lactams
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • meta-diazepine
  • alcohol
  • lactam
  • azacycle
  • heteroaromatic compound
  • imidazo-meta-diazepine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound
  • azole
  • 1,2-diol