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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:11 UTC
Update Date2025-03-25 00:49:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171989
Frequency0.5
Structure
Chemical FormulaC14H19N3O
Molecular Mass245.1528
SMILESCNC(Cc1cncn1C)c1ccc(OC)cc1
InChI KeyGCOUOLXWIPORGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • methoxybenzenes
  • n-substituted imidazoles
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine