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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:22 UTC
Update Date2025-03-21 18:40:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130327
Frequency19.5
Structure
Chemical FormulaC17H18NO4+
Molecular Mass300.123
SMILESCOc1ccc2cc3ccc(OC)c(OC)[n+]3cc2c1OC
InChI KeyNPWPGCVCKLRJDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolizines
Subclass quinolizines
Direct Parent quinolizines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoquinolines and derivatives
  • methylpyridines
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • phenol ether
  • ether
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • alkyl aryl ether
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • isoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation
  • organooxygen compound
  • quinolizine