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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:55 UTC
Update Date2025-03-21 18:03:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00043147
Frequency78.9
Structure
Chemical FormulaC14H12I3NO5S
Molecular Mass686.757
SMILESNCCc1ccc(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1
InChI KeyUHIMWJJBKDINQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl iodides
  • diarylethers
  • hydrocarbon derivatives
  • iodobenzenes
  • monoalkylamines
  • organic oxides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • ether
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • organic sulfuric acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound