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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:01 UTC
Update Date2025-03-25 00:46:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158035
Frequency0.5
Structure
Chemical FormulaC13H9IO4
Molecular Mass355.9546
SMILESO=C(O)c1cc(I)cc(Oc2ccc(O)cc2)c1
InChI KeyWLNGENBTDINSOS-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
  • 3-halobenzoic acids
  • aryl iodides
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • diarylethers
  • halobenzoic acids
  • hydrocarbon derivatives
  • iodobenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organoiodides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • carboxylic acid
  • 3-halobenzoic acid or derivatives
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • 3-halobenzoic acid
  • benzoic acid
  • halobenzoic acid
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound