Hmdb loader

Showing information for DMID00124172

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:48 UTC
Update Date2025-03-21 18:39:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124172
Frequency20.7
Structure
Chemical FormulaC12H12F3NO
Molecular Mass243.0871
SMILESCN1C(=O)CCC1c1cccc(C(F)(F)F)c1
InChI KeyBKIWJACZZCNSOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
  • trifluoromethylbenzenes
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • pyrrolidone
  • trifluoromethylbenzene
  • azacycle
  • n-alkylpyrrolidine
  • alkyl fluoride
  • organofluoride
  • 2-phenylpyrrolidine
  • carboxamide group
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound