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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:31 UTC
Update Date2025-03-25 00:47:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159139
Frequency0.5
Structure
Chemical FormulaC9H9F3O3
Molecular Mass222.0504
SMILESOc1ccc(C(O)C(O)C(F)(F)F)cc1
InChI KeyOPWOKKIRJHAXOV-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
  • 1,2-diols
  • alkyl fluorides
  • aromatic alcohols
  • benzene and substituted derivatives
  • fluorohydrins
  • hydrocarbon derivatives
  • organofluorides
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • 1-hydroxy-2-unsubstituted benzenoid
  • fluorohydrin
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol