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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:00 UTC
Update Date2025-03-25 00:45:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151150
Frequency0.5
Structure
Chemical FormulaC8H11F3O
Molecular Mass180.0762
SMILESCC(=CC(C)C)C(=O)C(F)(F)F
InChI KeyAJTOLMWCOQDIFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alkyl fluorides
  • alpha-haloketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • ketone
  • organic oxide
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • acryloyl-group
  • enone