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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:36 UTC
Update Date2025-03-21 18:40:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128521
Frequency19.8
Structure
Chemical FormulaC15H11NO2
Molecular Mass237.079
SMILESOc1ccc(Oc2ccnc3ccccc23)cc1
InChI KeyRCXGGWDTOSIXGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • polyhalopyridines
  • quinolines and derivatives
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyridine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • phenoxy compound
  • organoheterocyclic compound