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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:53 UTC
Update Date2025-03-25 01:01:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246857
Frequency0.5
Structure
Chemical FormulaC8H6F10O2
Molecular Mass324.0208
SMILESCCC(=O)C(O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyNBSOGFDTDMDVOB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl fluorides
  • alpha-haloketones
  • alpha-hydroxy ketones
  • fluorohydrins
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • fluorohydrin
  • alpha-hydroxy ketone
  • organohalogen compound
  • ketone
  • organic oxide
  • acyloin
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative