Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:29:38 UTC
Update Date2025-03-25 00:18:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01275271
Frequency1.0
Structure
Chemical FormulaC4H5F3O2
Molecular Mass142.0242
SMILESCC(F)(C(=O)O)C(F)F
InChI KeyXXDPTJVPSJAGGL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass alpha-halocarboxylic acids and derivatives
Direct Parent alpha-halocarboxylic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • alpha-halocarboxylic acid
  • organohalogen compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound