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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:49 UTC
Update Date2025-03-25 00:46:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153057
Frequency0.5
Structure
Chemical FormulaC13H7I4NO3
Molecular Mass732.6605
SMILESNC(=O)c1cc(I)cc(I)c1Oc1cc(I)c(O)c(I)c1
InChI KeyKKDMOZZLTBNZKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 3-halobenzoic acids and derivatives
  • aryl iodides
  • benzamides
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • diarylethers
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organic oxides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • primary carboxylic acid amides
    • Substituents
  • primary carboxylic acid amide
  • diaryl ether
  • phenol ether
  • ether
  • 3-halobenzoic acid or derivatives
  • benzoyl
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • benzamide
  • organoiodide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-iodophenol
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound