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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:46:31 UTC
Update Date2025-03-24 20:53:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01601221
Frequency0.8
Structure
Chemical FormulaC6H12N2O
Molecular Mass128.095
SMILESCC(C)(O)C1=NCNC1
InChI KeyVWGVFFGBAFQZGP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass imidazolines
Direct Parent imidazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • ketimines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • ketimine
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • tertiary alcohol
  • organic oxygen compound
  • imidazoline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 3-imidazoline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine