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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:43 UTC
Update Date2025-03-25 00:59:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239439
Frequency0.5
Structure
Chemical FormulaC13H17N5O
Molecular Mass259.1433
SMILESN=C(N)NCCCNc1ccnc2c(O)cccc12
InChI KeyVUSUHSGZUQCGSH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass 8-hydroxyquinolines
Direct Parent 8-hydroxyquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • carboximidamides
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imines
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alkylarylamines
    • Substituents
  • polyhalopyridine
  • guanidine
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • 8-hydroxyquinoline
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • carboximidamide
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound