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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:44 UTC
Update Date2025-03-25 00:59:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239481
Frequency0.5
Structure
Chemical FormulaC23H33ClN8O
Molecular Mass472.2466
SMILESN=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NCC(O)c1ccccc1
InChI KeyMGADMLUYBMAAIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent 1-arylbiguanides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • aryl chlorides
  • carboximidamides
  • chlorobenzenes
  • hydrocarbon derivatives
  • imines
  • organochlorides
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • imine
  • organochloride
  • organohalogen compound
  • organopnictogen compound
  • 1-arylbiguanide
  • aryl chloride
  • chlorobenzene
  • alcohol
  • carboximidamide
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound