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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:06 UTC
Update Date2025-03-25 00:55:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210762
Frequency0.5
Structure
Chemical FormulaC11H9F5O
Molecular Mass252.0574
SMILESC=CCc1ccc(OC(F)(F)C(F)(F)F)cc1
InChI KeyQOWPKBXKPGAPQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • hydrocarbon derivatives
  • organofluorides
  • organooxygen compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound