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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:42 UTC
Update Date2025-03-25 00:58:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230304
Frequency0.5
Structure
Chemical FormulaC23H27FN2O2
Molecular Mass382.2057
SMILESCN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C3CCC(=O)N3)ccc21
InChI KeyPYJZTQWQXDPZPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • aryl fluorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • fluorobenzenes
  • hydrocarbon derivatives
  • isocoumarans
  • lactams
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • phenylbutylamines
  • pyrroles
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • aryl fluoride
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • amino acid or derivatives
  • carboxylic acid derivative
  • organohalogen compound
  • dialkyl ether
  • fluorobenzene
  • organic oxide
  • phenylbutylamine
  • isocoumaran
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • tertiary amine
  • azacycle
  • organofluoride
  • 2-phenylpyrrolidine
  • tertiary aliphatic amine
  • carboxamide group
  • aryl halide
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound