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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:48:27 UTC
Update Date2025-03-24 21:21:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01750548
Frequency0.7
Structure
Chemical FormulaC18H8I6O4
Molecular Mass1049.4691
SMILESOc1cc(I)c(Oc2cc(I)c(Oc3cc(I)c(O)c(I)c3)c(I)c2)cc1I
InChI KeyCOTPYHZVHBGDMQ-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
  • m-iodophenols
  • o-iodophenols
  • organoiodides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • 3-halophenol
  • phenol ether
  • ether
  • 2-iodophenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • 3-iodophenol
  • diphenylether
  • organooxygen compound