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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:24 UTC
Update Date2025-03-25 00:51:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188556
Frequency0.5
Structure
Chemical FormulaC16H16I3NO3
Molecular Mass650.8264
SMILESCC(N)C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
InChI KeyVSHAMZKKHXVYPC-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
  • aryl iodides
  • diarylethers
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • monoalkylamines
  • o-iodophenols
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • 2-iodophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound