Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:21:20 UTC
Update Date2025-03-21 23:14:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00677499
Frequency2.3
Structure
Chemical FormulaC4H5F3O2
Molecular Mass142.0242
SMILESCCC(=O)OC(F)(F)F
InChI KeyMVAIAXFEIKTXMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classalkyl halides
Subclass halomethanes
Direct Parent trihalomethanes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • trihalomethane
  • alkyl fluoride
  • organofluoride
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound