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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:38 UTC
Update Date2025-03-25 00:47:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161577
Frequency0.5
Structure
Chemical FormulaC8H10INO5S
Molecular Mass358.9324
SMILESNCCc1ccc(OS(=O)(=O)O)c(O)c1I
InChI KeyUXNHZMPGBUKQCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent phenylsulfates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl iodides
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • monoalkylamines
  • o-iodophenols
  • organic oxides
  • organoiodides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-iodophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound