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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:53:35 UTC
Update Date2025-03-25 01:37:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02463802
Frequency0.5
Structure
Chemical FormulaC7H13N2O+
Molecular Mass141.1022
SMILESCC(=O)C1=NCC[N+]1(C)C
InChI KeyXNSITOQCTRAWJE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass imidazolines
Direct Parent imidazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • ketones
  • organic cations
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • azacycle
  • carboximidamide
  • ketone
  • organic oxide
  • organic oxygen compound
  • 2-imidazoline
  • imidazoline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound