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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:31 UTC
Update Date2025-03-21 18:31:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00087294
Frequency40.3
Structure
Chemical FormulaC21H27ClN6O
Molecular Mass414.1935
SMILESN=C(NCCCCCCN=C(O)c1ccccc1)NC(=N)Nc1ccc(Cl)cc1
InChI KeyUCJMDSFGMBVZMS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent 1-arylbiguanides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • carboximidamides
  • carboximidic acids
  • chlorobenzenes
  • hydrocarbon derivatives
  • imines
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • imine
  • organochloride
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organopnictogen compound
  • 1-arylbiguanide
  • aryl chloride
  • chlorobenzene
  • organic 1,3-dipolar compound
  • carboximidamide
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound