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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:59:05 UTC
Update Date2025-03-25 01:39:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02477039
Frequency0.5
Structure
Chemical FormulaC4H6N4O
Molecular Mass126.0542
SMILESCOc1nncnc1N
InChI KeyBFLLYIUPXMMVGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2,4-triazines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • alkyl aryl ether
  • organonitrogen compound
  • organopnictogen compound
  • triazine
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • 1,2,4-triazine
  • amine
  • organoheterocyclic compound