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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:32 UTC
Update Date2025-03-21 17:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00014388
Frequency306.7
Structure
Chemical FormulaC7H4I2O3
Molecular Mass389.825
SMILESO=C(O)c1cc(I)c(O)c(I)c1
InChI KeyXREKTVACBXQCSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent hydroxybenzoic acid derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 3-halobenzoic acids
  • aryl iodides
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • halobenzoic acids
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • monocarboxylic acids and derivatives
  • o-iodophenols
  • organic oxides
  • organoiodides
  • organooxygen compounds
    • Substituents
  • carboxylic acid
  • 3-halobenzoic acid or derivatives
  • benzoyl
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • 3-halobenzoic acid
  • benzoic acid
  • halobenzoic acid
  • 2-iodophenol
  • halobenzoic acid or derivatives
  • aryl halide
  • hydroxybenzoic acid
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • organooxygen compound