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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:51 UTC
Update Date2025-03-25 00:47:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159869
Frequency0.5
Structure
Chemical FormulaC15H5F19O3S
Molecular Mass625.9656
SMILESO=S(=O)(c1ccc(O)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyWSIAADRIQPUNGW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonyl compounds
Direct Parent benzenesulfonyl compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl fluorides
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • sulfones
    • Substituents
  • alkyl fluoride
  • organofluoride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • phenol
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound
  • sulfone
  • benzenesulfonyl group