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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:47 UTC
Update Date2025-03-21 18:40:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128929
Frequency19.8
Structure
Chemical FormulaC9H14N2O2
Molecular Mass182.1055
SMILESCNCc1nccc(OC)c1OC
InChI KeyQAZJRLUQRWEAKX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organopnictogen compounds
    • Substituents
  • secondary aliphatic amine
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • alkyl aryl ether
  • secondary amine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound
  • amine