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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:35 UTC
Update Date2025-03-25 00:54:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204882
Frequency0.5
Structure
Chemical FormulaC22H26O13
Molecular Mass498.1373
SMILESO=c1c(OC2OC(COC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)cccc2cccc(O)c12
InChI KeyXAGZHDUBQQDJSL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasshydrocarbon derivatives
Classtropones
Subclass tropones
Direct Parent tropones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzenoids
  • hemiacetals
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • alcohol
  • tropone
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • saccharide
  • organic oxide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hemiacetal
  • benzenoid
  • oxane
  • organoheterocyclic compound
  • organooxygen compound