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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:53 UTC
Update Date2025-03-25 00:47:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159946
Frequency0.5
Structure
Chemical FormulaC12H6F13NO6S2
Molecular Mass570.9429
SMILESO=S(=O)(O)Oc1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChI KeyBAGFVKMMRQAOBN-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
  • alkyl fluorides
  • aminosulfonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • phenoxy compounds
  • sulfanilides
  • sulfuric acid monoesters
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • aromatic homomonocyclic compound
  • sulfanilide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organic sulfonic acid amide
  • organooxygen compound