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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:44 UTC
Update Date2025-03-25 00:50:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182485
Frequency0.5
Structure
Chemical FormulaC13H8I2O3
Molecular Mass465.8563
SMILESO=Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1
InChI KeyVBSDXERHZXFBEJ-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
  • benzaldehydes
  • benzoyl derivatives
  • diarylethers
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organic oxides
  • organoiodides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • aryl-aldehyde
  • 2-iodophenol
  • aldehyde
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • benzaldehyde
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound