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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:02 UTC
Update Date2025-03-25 00:58:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233333
Frequency0.5
Structure
Chemical FormulaC9H11Cl2N3O
Molecular Mass247.0279
SMILESNC(N)=NCCOc1ccc(Cl)cc1Cl
InChI KeyCPRIFTXKNQVWNV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl chlorides
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • phenol ether
  • ether
  • guanidine
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • 1,3-dichlorobenzene
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • organic 1,3-dipolar compound
  • carboximidamide
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound