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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:18 UTC
Update Date2025-03-25 00:54:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204211
Frequency0.5
Structure
Chemical FormulaC16H14NO4+
Molecular Mass284.0917
SMILESc1c2c(cc3c1OCO3)C[n+]1cc3c(cc1CC2)OCO3
InChI KeyOPUFTNGKTOYVKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetals
  • azacyclic compounds
  • azepines
  • benzenoids
  • benzodioxoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • pyridines and derivatives
    • Substituents
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • oxacycle
  • pyridine
  • organic oxygen compound
  • azepine
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation
  • benzazepine
  • organooxygen compound
  • benzodioxole