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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:48 UTC
Update Date2025-03-21 18:04:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050052
Frequency65.7
Structure
Chemical FormulaC15H11I3O4
Molecular Mass635.7792
SMILESO=C(O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
InChI KeyVRORTNGXAKZJML-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
  • carbonyl compounds
  • carboxylic acids
  • diarylethers
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • monocarboxylic acids and derivatives
  • o-iodophenols
  • organic oxides
  • organoiodides
  • phenol ethers
  • phenoxy compounds
  • phenylpropanoic acids
    • Substituents
  • diaryl ether
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • 2-iodophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound