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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:14 UTC
Update Date2025-03-25 00:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204058
Frequency0.5
Structure
Chemical FormulaC9H6F6O
Molecular Mass244.0323
SMILESOC(c1cccc(C(F)(F)F)c1)C(F)(F)F
InChI KeyBSMNENKVFMPEGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass trifluoromethylbenzenes
Direct Parent trifluoromethylbenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • aromatic alcohols
  • fluorohydrins
  • hydrocarbon derivatives
  • organofluorides
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • fluorohydrin
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • alkyl halide
  • hydrocarbon derivative
  • trifluoromethylbenzene
  • organooxygen compound