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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:28:46 UTC
Update Date2025-03-24 22:14:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01127148
Frequency1.2
Structure
Chemical FormulaC18H20I4NO5S+
Molecular Mass869.7236
SMILESCC(Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)[N+](C)(C)C
InChI KeyJXCGLLPOBIRWQQ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amines
  • amphetamines and derivatives
  • aryl iodides
  • diarylethers
  • hydrocarbon derivatives
  • iodobenzenes
  • organic cations
  • organic oxides
  • organic salts
  • organoiodides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylpropanes
  • phenylsulfates
  • sulfuric acid monoesters
  • tetraalkylammonium salts
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • ether
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • phenylpropane
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • organic cation
  • organic salt
  • amphetamine or derivatives
  • organic sulfuric acid or derivatives
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • amine
  • organooxygen compound