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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:21 UTC
Update Date2025-03-25 00:54:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204353
Frequency0.5
Structure
Chemical FormulaC21H24O8
Molecular Mass404.1471
SMILESOCC1OC(OC2CC(c3ccc(O)cc3)c3ccccc3O2)C(O)C(O)C1O
InChI KeyYOIUMCLIALRHLJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classneoflavonoids
Subclass neoflavans
Direct Parent neoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • neoflavan
  • alcohol
  • monocyclic benzene moiety
  • benzopyran
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • chromane
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound