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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:42 UTC
Update Date2025-03-25 00:59:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237165
Frequency0.5
Structure
Chemical FormulaC13H7Br2IO3
Molecular Mass495.7807
SMILESO=C(O)c1ccc(Oc2ccc(Br)cc2Br)c(I)c1
InChI KeyYIQODLIHNKGJPH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent bromodiphenyl ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 3-halobenzoic acids
  • aryl bromides
  • aryl iodides
  • benzoic acids
  • benzoyl derivatives
  • bromobenzenes
  • carboxylic acids
  • diarylethers
  • halobenzoic acids
  • hydrocarbon derivatives
  • iodobenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organobromides
  • organoiodides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • carboxylic acid
  • 3-halobenzoic acid or derivatives
  • benzoyl
  • bromodiphenyl ether
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • 3-halobenzoic acid
  • benzoic acid
  • halobenzoic acid
  • bromobenzene
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organobromide
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound