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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:58 UTC
Update Date2025-03-25 00:46:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157933
Frequency0.5
Structure
Chemical FormulaC8H6I2O4
Molecular Mass419.8356
SMILESO=C(O)Cc1cc(O)c(O)c(I)c1I
InChI KeyQKIGFDTWIFJMLF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl iodides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • iodobenzenes
  • m-iodophenols
  • monocarboxylic acids and derivatives
  • o-iodophenols
  • organic oxides
  • organoiodides
  • p-iodophenols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • 4-iodophenol
  • organoiodide
  • organic oxide
  • 4-halophenol
  • 3-halophenol
  • 2-iodophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • 3-iodophenol
  • organooxygen compound