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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:14 UTC
Update Date2025-03-21 18:03:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00043906
Frequency77.2
Structure
Chemical FormulaC10H12N2O2
Molecular Mass192.0899
SMILESCOc1ccc(C2CCC(=O)N2)cn1
InChI KeyUSVKMCVOSGHAAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • ether
  • lactam
  • aromatic heteromonocyclic compound
  • pyrrolidinylpyridine
  • polyhalopyridine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound