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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 IDDMID02159873
Frequency0.5
Structure
Chemical FormulaC10H5F9O3S
Molecular Mass375.9816
SMILESO=S(=O)(Oc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyUXPCZDYRRUONAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenoxy compounds
Direct Parent phenoxy compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • organosulfonic acid esters
  • sulfonic acid esters
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • alkyl fluoride
  • organofluoride
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid ester
  • aromatic homomonocyclic compound
  • sulfonic acid ester
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • alkyl halide
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound