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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:29 UTC
Update Date2025-03-25 00:56:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220985
Frequency0.5
Structure
Chemical FormulaC11H5F9O5S
Molecular Mass419.9714
SMILESO=C(O)c1cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
InChI KeyVPVLWMLXCPIJOO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • organosulfonic acid esters
  • phenoxy compounds
  • sulfonic acid esters
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • carboxylic acid
  • benzoyl
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • sulfonic acid ester
  • organic oxide
  • alkyl halide
  • benzoic acid
  • alkyl fluoride
  • organofluoride
  • organosulfonic acid ester
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound