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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:24 UTC
Update Date2025-03-21 18:42:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00137284
Frequency18.2
Structure
Chemical FormulaC10H7F3O2
Molecular Mass216.0398
SMILESO=C(O)C=Cc1ccc(C(F)(F)F)cc1
InChI KeyANRMAUMHJREENI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • trifluoromethylbenzenes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • carboxylic acid derivative
  • organohalogen compound
  • aromatic homomonocyclic compound
  • cinnamic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • benzenoid
  • trifluoromethylbenzene
  • organooxygen compound