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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:16 UTC
Update Date2025-03-21 18:37:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118292
Frequency22.1
Structure
Chemical FormulaC8H5F5O
Molecular Mass212.0261
SMILESOc1ccc(C(F)(F)C(F)(F)F)cc1
InChI KeyPWCUFRXPNILGHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organofluorides
  • organooxygen compounds
    • Substituents
  • monocyclic benzene moiety
  • alkyl fluoride
  • organofluoride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound