Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:20 UTC
Update Date2025-03-21 17:59:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00018300
Frequency226.7
Structure
Chemical FormulaC4H5F3O2
Molecular Mass142.0242
SMILESCC(O)C(=O)C(F)(F)F
InChI KeyUEILDSPTTFYDMG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-haloketones
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • alpha-hydroxy ketone
  • organohalogen compound
  • ketone
  • organic oxide
  • acyloin
  • secondary alcohol
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative