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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:29 UTC
Update Date2025-03-25 00:46:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154654
Frequency0.5
Structure
Chemical FormulaC10H14N2O
Molecular Mass178.1106
SMILESCOc1ccc(C2CCNC2)cn1
InChI KeyHPLWSZAHTLRPGO-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
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organopnictogen compounds
  • polyhalopyridines
  • pyrrolidines
    • Substituents
  • secondary aliphatic amine
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • pyrrolidinylpyridine
  • heteroaromatic compound
  • methylpyridine
  • alkyl aryl ether
  • secondary amine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound
  • amine