Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:22:11 UTC
Update Date2025-03-25 00:40:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02114555
Frequency0.6
Structure
Chemical FormulaC5H9FO2
Molecular Mass120.0587
SMILESCC(O)C(=O)C(C)F
InChI KeyXMUMHWYNAWNWBP-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