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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:35 UTC
Update Date2025-03-25 00:55:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214273
Frequency0.5
Structure
Chemical FormulaC14H15N3O
Molecular Mass241.1215
SMILESCCc1ncccc1C(N)=Nc1ccc(O)cc1
InChI KeyKUNFWINQANTPHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • amidines
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • methylpyridine
  • organic 1,3-dipolar compound
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound