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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 IDDMID02204056
Frequency0.5
Structure
Chemical FormulaC15H6F18O
Molecular Mass544.0131
SMILESOC(c1ccccc1)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyIZXKTCDKBMIGRI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • aromatic alcohols
  • fluorohydrins
  • hydrocarbon derivatives
  • organofluorides
  • tertiary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • fluorohydrin
  • organohalogen compound
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound