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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:14 UTC
Update Date2025-03-25 01:01:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249922
Frequency0.5
Structure
Chemical FormulaC16H16NO3+
Molecular Mass270.1125
SMILESCOc1ccc2c3ccc(OC)c(O)c3c[n+](C)c2c1
InChI KeyJWAGTBMWVZWELN-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass benzoquinolines
Direct Parent phenanthridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • isoquinolines and derivatives
  • methylpyridines
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • 1-hydroxy-4-unsubstituted benzenoid
  • pyridine
  • organic oxygen compound
  • anisole
  • isoquinoline
  • hydrocarbon derivative
  • benzenoid
  • phenanthridine
  • organic nitrogen compound
  • organooxygen compound