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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:31 UTC
Update Date2025-03-25 00:49:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177428
Frequency0.5
Structure
Chemical FormulaC12H16N2O
Molecular Mass204.1263
SMILESc1cncc(C2COCC3CCCN32)c1
InChI KeyVBKUABWOYXJMQV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent aralkylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • morpholines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • pyridines and derivatives
  • trialkylamines
    • Substituents
  • ether
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • dialkyl ether
  • aralkylamine
  • oxazinane
  • oxacycle
  • morpholine
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound