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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:00 UTC
Update Date2025-03-21 18:39:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124638
Frequency20.6
Structure
Chemical FormulaC17H16NO4+
Molecular Mass298.1074
SMILESc1c2c(cc3c1OCO3)CC[n+]1cc3c(cc1CC2)OCO3
InChI KeyONJIZRMXRSIDIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetals
  • azacyclic compounds
  • benzenoids
  • 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
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation
  • organooxygen compound
  • benzodioxole