Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:21:15 UTC
Update Date2025-03-24 21:35:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01828051
Frequency0.7
Structure
Chemical FormulaC8H13FO
Molecular Mass144.095
SMILESCC(C)=CC(=O)C(C)(C)F
InChI KeyNEKWTXFMQOSXTN-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