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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:07 UTC
Update Date2025-03-25 00:47:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160429
Frequency0.5
Structure
Chemical FormulaC12H8I3NO5S
Molecular Mass658.7257
SMILESNc1ccc(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1
InChI KeyNQMDQUGBNSQDQJ-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
  • organic oxides
  • organoiodides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • primary amines
  • 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
  • aryl iodide
  • primary amine
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • amine
  • organooxygen compound