Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:37:44 UTC
Update Date2025-03-25 01:07:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02287557
Frequency0.5
Structure
Chemical FormulaC4H6F2O2
Molecular Mass124.0336
SMILESCCOC(=O)C(F)F
InChI KeyGZKHDVAKKLTJPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass alpha-halocarboxylic acids and derivatives
Direct Parent alpha-halocarboxylic acid derivatives
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
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • alpha-halocarboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound