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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:17:01 UTC
Update Date2025-03-21 22:14:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00525354
Frequency3.2
Structure
Chemical FormulaC6H8N2O2
Molecular Mass140.0586
SMILESCC(=O)C(=O)C1=NCNC1
InChI KeyIAUKZHKCWTXIIO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-diketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • imidazolines
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • secondary aliphatic amine
  • ketimine
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • secondary amine
  • alpha-diketone
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • imidazoline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 3-imidazoline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine