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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:00:31 UTC
Update Date2025-03-25 01:16:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02340570
Frequency0.5
Structure
Chemical FormulaC6H8N2O
Molecular Mass124.0637
SMILESC=CC(=O)C1=NCNC1
InChI KeyGTZCXXMHGORERR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass imidazolines
Direct Parent imidazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha,beta-unsaturated ketones
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • secondary aliphatic amine
  • ketimine
  • carbonyl group
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • secondary amine
  • alpha,beta-unsaturated ketone
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • imidazoline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 3-imidazoline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine