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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:14 UTC
Update Date2025-03-21 17:57:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00009025
Frequency536.5
Structure
Chemical FormulaC11H14N2O
Molecular Mass190.1106
SMILESCC(=O)N1CCCC1c1cccnc1
InChI KeySSABMTSCLQGWBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alkaloids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-acylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • pyrrolidinylpyridine
  • heteroaromatic compound
  • n-acylpyrrolidine
  • methylpyridine
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • alkaloid or derivatives
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • acetamide
  • organooxygen compound