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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:29 UTC
Update Date2025-03-25 00:46:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154652
Frequency0.5
Structure
Chemical FormulaC18H20NO4+
Molecular Mass314.1387
SMILESCOc1ccc(C2CCC[n+]3cc4c(cc32)OCO4)cc1OC
InChI KeyADGPDLRZEHBQLP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolizines
Subclass quinolizines
Direct Parent quinolizines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetals
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dimethoxybenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • polyhalopyridines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • dimethoxybenzene
  • acetal
  • aromatic heteropolycyclic compound
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • quinolizine
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • methoxybenzene
  • oxacycle
  • pyridine
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound