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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:23 UTC
Update Date2025-03-25 01:01:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247978
Frequency0.5
Structure
Chemical FormulaC13H15NO4
Molecular Mass249.1001
SMILESCOC(=O)C1C(O)C(=O)N(C)C1c1ccccc1
InChI KeyPWWLVEOVCBUGSY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • hydrocarbon derivatives
  • lactams
  • methyl esters
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine carboxylic acids
  • pyrrolidine-2-ones
  • secondary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • methyl ester
  • pyrrolidine carboxylic acid
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • hydroxy acid
  • carboxamide group
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound