Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:53 UTC
Update Date2025-03-21 18:33:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00095305
Frequency29.1
Structure
Chemical FormulaC6H7F3O
Molecular Mass152.0449
SMILESCC(C)=CC(=O)C(F)(F)F
InChI KeyMADVMHHBWSVUQF-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