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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:30 UTC
Update Date2025-03-21 18:03:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042123
Frequency81.3
Structure
Chemical FormulaC9H7F11O
Molecular Mass340.0321
SMILESCC(C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyNPDPNVJMOVUDJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-haloketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • organic oxide
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative