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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:41 UTC
Update Date2025-03-25 00:49:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175477
Frequency0.5
Structure
Chemical FormulaC9H9F7O4
Molecular Mass314.0389
SMILESCC(C)(COC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChI KeyGNRUNMBWKSDSIF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-halocarboxylic acid derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • carboxylic acid derivative
  • organohalogen compound
  • alpha-halocarboxylic acid derivative
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound