Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:37 UTC
Update Date2025-03-25 00:55:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214363
Frequency0.5
Structure
Chemical FormulaC7H10F2O4
Molecular Mass196.0547
SMILESCCOC(=O)C(F)(F)C(=O)OCC
InChI KeyWCRVWLHTROHXBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass dicarboxylic acids and derivatives
Direct Parent dicarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-halocarboxylic acid derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • Substituents
  • alpha-halocarboxylic acid or derivatives
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • alpha-halocarboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound