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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:56 UTC
Update Date2025-03-25 00:47:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162292
Frequency0.5
Structure
Chemical FormulaC14H15NO6
Molecular Mass293.0899
SMILESO=C(O)CC1C(=O)N(CC(=O)O)C(c2ccccc2)C1O
InChI KeyPLZBOUNZFDXJCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • secondary alcohols
  • tertiary carboxylic acid amides
  • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidone
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • carboxamide group
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound