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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:01 UTC
Update Date2025-03-25 00:50:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178564
Frequency0.5
Structure
Chemical FormulaC13H15NO3
Molecular Mass233.1052
SMILESCc1cccc(C)c1N1CC(C(=O)O)CC1=O
InChI KeyPMFQUYSCBXNYOR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine carboxylic acids
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
  • m-xylenes
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • 1-phenylpyrrolidine
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • xylene
  • organic oxide
  • pyrrolidine carboxylic acid
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • azacycle
  • m-xylene
  • carboxamide group
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound