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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:13 UTC
Update Date2025-03-25 00:46:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154025
Frequency0.5
Structure
Chemical FormulaC18H23N3O3
Molecular Mass329.1739
SMILESCOc1ccc2nc(C(O)C3C(O)CC4CCC3N4C)cnc2c1
InChI KeyFHJQAZOHHXIKKH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinoxalines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • azacyclic compounds
  • cyclic alcohols and derivatives
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • piperidines
  • pyrazines
  • secondary alcohols
  • trialkylamines
  • tropane alkaloids
    • Substituents
  • aromatic alcohol
  • phenol ether
  • ether
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • piperidine
  • tertiary amine
  • alcohol
  • quinoxaline
  • 1,3-aminoalcohol
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • cyclic alcohol
  • organic oxygen compound
  • anisole
  • pyrazine
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • tropane alkaloid
  • amine
  • organooxygen compound