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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:28:26 UTC
Update Date2025-03-25 00:42:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02129070
Frequency0.6
Structure
Chemical FormulaC20H17I4NO6S
Molecular Mass906.6956
SMILESCCC1=C(C)C(=O)NC1Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1
InChI KeyAUYXJWPRGQHCLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl iodides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diarylethers
  • hydrocarbon derivatives
  • iodobenzenes
  • lactams
  • organic oxides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • pyrrolines
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • lactam
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • organoheterocyclic compound
  • organic sulfuric acid or derivatives
  • azacycle
  • carboxamide group
  • aryl halide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • sulfate-ester
  • hydrocarbon derivative
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound