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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:04 UTC
Update Date2025-03-25 00:56:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217692
Frequency0.5
Structure
Chemical FormulaC11H11NO5
Molecular Mass237.0637
SMILESO=C(O)c1ccc(=O)n2c1CCC(C(=O)O)C2
InChI KeyXTBYINGOVARXHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolizines
Subclass quinolizines
Direct Parent quinolizines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridine-3-carboxylic acids
  • pyridinones
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • carbonyl group
  • lactam
  • carboxylic acid
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • quinolizine
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • pyridine
  • organic oxygen compound
  • pyridine carboxylic acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound