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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:33 UTC
Update Date2025-03-25 00:53:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202499
Frequency0.5
Structure
Chemical FormulaC15H5F17O3
Molecular Mass555.9967
SMILESO=C(O)c1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChI KeyCERZREUVTFMWOV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • phenol ether
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • benzoyl
  • carboxylic acid derivative
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • benzoic acid
  • phenoxy compound
  • organooxygen compound