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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:28:15 UTC
Update Date2025-03-24 20:46:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01558290
Frequency0.8
Structure
Chemical FormulaC6H9FO
Molecular Mass116.0637
SMILESCC(C)=CC(=O)CF
InChI KeyUMPISGGOSLIJCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-haloketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • alpha,beta-unsaturated ketone
  • organohalogen compound
  • ketone
  • organic oxide
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • acryloyl-group
  • enone