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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:09 UTC
Update Date2025-03-21 18:32:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091142
Frequency30.8
Structure
Chemical FormulaC17H17N3O
Molecular Mass279.1372
SMILESN#Cc1ccc2c(c1)COC2(CCCN)c1ccccn1
InChI KeyBEYMDQBKLUBXRI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isocoumarans
Direct Parent isocoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • nitriles
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyridines and derivatives
    • Substituents
  • ether
  • nitrile
  • azacycle
  • heteroaromatic compound
  • dialkyl ether
  • oxacycle
  • isocoumaran
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound
  • carbonitrile
  • organooxygen compound