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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:39 UTC
Update Date2025-03-25 00:46:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155017
Frequency0.5
Structure
Chemical FormulaC10H14N2O
Molecular Mass178.1106
SMILESCc1ccc(C2CNCCO2)cn1
InChI KeyVWGCPXGANPVMKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • dialkyl ethers
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • morpholines
  • organopnictogen compounds
  • oxacyclic compounds
  • pyridines and derivatives
    • Substituents
  • secondary aliphatic amine
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • secondary amine
  • dialkyl ether
  • oxazinane
  • oxacycle
  • morpholine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound
  • amine