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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:42 UTC
Update Date2025-03-25 00:56:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219155
Frequency0.5
Structure
Chemical FormulaC21H20NO4+
Molecular Mass350.1387
SMILESCOc1ccc2cc3[n+](cc2c1OC)CCc1ccc2c(c1C3)OCO2
InChI KeyWXUYRMBHLVOADA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetals
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • azepines
  • benzodioxoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoquinolines and derivatives
  • methylpyridines
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • benzodioxole
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • oxacycle
  • pyridine
  • organic oxygen compound
  • azepine
  • anisole
  • isoquinoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • organooxygen compound