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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:48 UTC
Update Date2025-03-25 01:01:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248927
Frequency0.5
Structure
Chemical FormulaC16H23N3O
Molecular Mass273.1841
SMILESCOc1ccc(C(CCN(C)C)Cn2ccnc2)cc1
InChI KeyIJLNAFLDFGRXCK-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • methoxybenzenes
  • n-substituted imidazoles
  • organopnictogen compounds
  • phenoxy compounds
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound