Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:41:03 UTC
Update Date2025-03-24 20:26:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01445356
Frequency0.9
Structure
Chemical FormulaC4H7FO2
Molecular Mass106.043
SMILESCCC(=O)OCF
InChI KeyXGNRVCMUGFPKEU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent carboxylic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound