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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:54:26 UTC
Update Date2025-03-21 22:01:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00472081
Frequency3.7
Structure
Chemical FormulaC16H10I4O9S
Molecular Mass885.6224
SMILESO=C(O)C(Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O
InChI KeyKZFSUMDIYBMNIZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • aryl iodides
  • carboxylic acids
  • diarylethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • iodobenzenes
  • organic oxides
  • organoiodides
  • phenol ethers
  • phenoxy compounds
  • phenylpropanoic acids
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • organic sulfuric acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • aryl iodide
  • 1,3-dicarbonyl compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound