Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:14 UTC
Update Date2025-03-21 18:35:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105988
Frequency25.5
Structure
Chemical FormulaC10H10F2O3
Molecular Mass216.0598
SMILESCC(C(=O)O)c1ccc(OC(F)F)cc1
InChI KeyPEQVEDVKZALGKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • carboxylic acid derivative
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • alkyl halide
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound