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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:02 UTC
Update Date2025-03-21 18:37:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115282
Frequency22.9
Structure
Chemical FormulaC21H27NO11
Molecular Mass469.1584
SMILESCC1OC(OCC2OC(Oc3ccc4cccc(O)c4n3)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyPPIUNNCKWXYGFI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolones and derivatives
Direct Parent quinolones and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • 8-hydroxyquinolines
  • acetals
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • polyhalopyridines
  • secondary alcohols
    • Substituents
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • oxane
  • alcohol
  • quinolone
  • 8-hydroxyquinoline
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound