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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:47 UTC
Update Date2025-03-25 00:51:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184806
Frequency0.5
Structure
Chemical FormulaC8H9ClN6O2
Molecular Mass256.0476
SMILESN=C(NC(=N)N[N+](=O)[O-])Nc1ccc(Cl)cc1
InChI KeyBUDNIYGSDYXOHY-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
  • chlorobenzenes
  • hydrocarbon derivatives
  • imines
  • nitramines
  • nitroguanidines
  • organic oxides
  • organic oxoanionic compounds
  • organochlorides
  • organopnictogen compounds
    • Substituents
  • monocyclic benzene moiety
  • imine
  • organochloride
  • nitroguanidine
  • allyl-type 1,3-dipolar organic compound
  • organohalogen compound
  • organic nitro compound
  • organic oxide
  • organopnictogen compound
  • 1-arylbiguanide
  • aryl chloride
  • chlorobenzene
  • organic 1,3-dipolar compound
  • carboximidamide
  • aryl halide
  • aromatic homomonocyclic compound
  • nitramine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organic hyponitrite