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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:23:47 UTC
Update Date2025-03-24 21:09:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01691427
Frequency0.7
Structure
Chemical FormulaC5H7FO
Molecular Mass102.0481
SMILESC=C(F)C(=O)CC
InChI KeyJUFCYVSKUBDDNQ-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
  • alpha-haloketones
  • enones
  • fluoroalkenes
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • vinyl fluorides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • organofluoride
  • vinyl fluoride
  • organohalogen compound
  • ketone
  • organic oxide
  • vinyl halide
  • haloalkene
  • alpha-haloketone
  • hydrocarbon derivative
  • acryloyl-group
  • fluoroalkene
  • enone