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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:54 UTC
Update Date2025-03-21 18:36:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112536
Frequency23.6
Structure
Chemical FormulaC25H24NO10+
Molecular Mass498.1395
SMILESCOc1c(OC2OC(C(=O)O)C(O)C(O)C2O)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2
InChI KeyJTACAMOIQSBONP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classprotoberberine alkaloids and derivatives
Subclass protoberberine alkaloids and derivatives
Direct Parent protoberberine alkaloids and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetals
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • benzodioxoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • isoquinolines and derivatives
  • methylpyridines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • polyhalopyridines
  • pyran carboxylic acids
  • quinolizines
  • secondary alcohols
    • Substituents
  • tetrahydroprotoberberine skeleton
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • polyhalopyridine
  • o-glucuronide
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • oxane
  • organoheterocyclic compound
  • benzodioxole
  • quinolizine
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • hydroxy acid
  • protoberberine skeleton
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • pyran
  • anisole
  • isoquinoline
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound