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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:44 UTC
Update Date2025-03-25 00:56:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219243
Frequency0.5
Structure
Chemical FormulaC12H16N2O
Molecular Mass204.1263
SMILESCOc1ccc2c(c1)C1CCCN1CN2
InChI KeyZAEARBACSBFQRL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • diazanaphthalenes
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • phenol ether
  • ether
  • azacycle
  • n-alkylpyrrolidine
  • alkyl aryl ether
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinazoline
  • pyrrolidine
  • organooxygen compound
  • amine