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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:14 UTC
Update Date2025-03-25 00:58:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231514
Frequency0.5
Structure
Chemical FormulaC23H30O9
Molecular Mass450.189
SMILESCC1OC(OCC(Cc2ccc(O)c(O)c2)C(O)Cc2cccc(O)c2)C(O)C(O)C1O
InChI KeyHXFIXYYYPGOAQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan glycosides
Subclass lignan glycosides
Direct Parent lignan glycosides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl glycosides
  • benzene and substituted derivatives
  • fatty acyl glycosides of mono- and disaccharides
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl glycoside of mono- or disaccharide
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • lignan glycoside
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • organoheterocyclic compound
  • organooxygen compound
  • alkyl glycoside