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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:04 UTC
Update Date2025-03-21 18:39:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127182
Frequency20.1
Structure
Chemical FormulaC14H13ClINO2
Molecular Mass388.968
SMILESNCCc1ccc(Oc2ccc(Cl)cc2O)c(I)c1
InChI KeyKHEPGEJLNIMEFX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl chlorides
  • aryl iodides
  • chlorobenzenes
  • diarylethers
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • m-chlorophenols
  • monoalkylamines
  • organochlorides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound