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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:23 UTC
Update Date2025-03-25 00:50:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181679
Frequency0.5
Structure
Chemical FormulaC17H13NO4
Molecular Mass295.0845
SMILESO=C(O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChI KeyULLJRCJVOXQCHS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass phenylpyrrolines
Direct Parent phenylpyrrolines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrroline carboxylic acids
  • tertiary carboxylic acid amides
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • pyrroline carboxylic acid or derivatives
  • 2-phenylpyrroline
  • carboxamide group
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline carboxylic acid
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1-phenylpyrroline
  • organooxygen compound