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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:44:41 UTC
Update Date2025-03-24 21:45:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01883455
Frequency0.6
Structure
Chemical FormulaC16H12I4O8S
Molecular Mass871.6432
SMILESCC(O)(Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O
InChI KeyGFSSCRHBSFCBJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • aryl iodides
  • carbonyl compounds
  • carboxylic acids
  • diarylethers
  • hydrocarbon derivatives
  • iodobenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organoiodides
  • phenol ethers
  • phenoxy compounds
  • phenylpropanes
  • phenylpropanoic acids
  • phenylsulfates
  • sulfuric acid monoesters
  • tertiary alcohols
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • phenylpropane
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • alcohol
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • aryl halide
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound