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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:21 UTC
Update Date2025-03-25 01:00:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245618
Frequency0.5
Structure
Chemical FormulaC12H15F3O
Molecular Mass232.1075
SMILESCCCCCc1ccc(OC(F)(F)F)cc1
InChI KeyGRWZGXKCAZVABE-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
  • trihalomethanes
    • Substituents
  • halomethane
  • phenol ether
  • monocyclic benzene moiety
  • trihalomethane
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound