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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:15 UTC
Update Date2025-03-25 00:49:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176776
Frequency0.5
Structure
Chemical FormulaC23H32ClN9O2
Molecular Mass501.2367
SMILESCOc1cc(C=NNC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)ccc1O
InChI KeyWUCZXTSKWKOCMP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent 1-arylbiguanides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aryl chlorides
  • carboximidamides
  • chlorobenzenes
  • hydrocarbon derivatives
  • imines
  • methoxybenzenes
  • methoxyphenols
  • organochlorides
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • imine
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organohalogen compound
  • organopnictogen compound
  • 1-arylbiguanide
  • aryl chloride
  • chlorobenzene
  • carboximidamide
  • methoxybenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • phenoxy compound
  • organooxygen compound