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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:59 UTC
Update Date2025-03-25 00:52:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194316
Frequency0.5
Structure
Chemical FormulaC13H14F3NO3
Molecular Mass289.0926
SMILESCN1C(=O)CC(O)(C(F)(F)F)CC1c1ccc(O)cc1
InChI KeySSNQULNFYKUGJW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass phenylpiperidines
Direct Parent phenylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl fluorides
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • delta lactams
  • fluorohydrins
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidinones
  • tertiary alcohols
  • tertiary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • fluorohydrin
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • piperidinone
  • alcohol
  • azacycle
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • carboxamide group
  • delta-lactam
  • tertiary alcohol
  • organic oxygen compound
  • phenylpiperidine
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound