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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:40 UTC
Update Date2025-03-25 00:45:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150349
Frequency0.5
Structure
Chemical FormulaC11H11N2O2+
Molecular Mass203.0815
SMILESCOc1cc[n+]2cccc(C(N)=O)c2c1
InChI KeyNRIJJQMDLRUFAP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolizines
Subclass quinolizines
Direct Parent quinolizines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary carboxylic acid amides
  • pyridinecarboxylic acids and derivatives
  • vinylogous amides
    • Substituents
  • primary carboxylic acid amide
  • pyridine carboxylic acid or derivatives
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • quinolizine
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound