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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:55 UTC
Update Date2025-03-25 00:52:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194145
Frequency0.5
Structure
Chemical FormulaC12H17N3O
Molecular Mass219.1372
SMILESCN=C(NC)NCCC(=O)c1ccccc1
InChI KeyRHOBJXGMYJPEES-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • benzoyl derivatives
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • guanidine
  • imine
  • benzoyl
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone