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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:25 UTC
Update Date2025-03-21 18:34:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101525
Frequency26.9
Structure
Chemical FormulaC21H18O4
Molecular Mass334.1205
SMILESOc1ccc(C2COc3cc(O)ccc3C2c2ccc(O)cc2)cc1
InChI KeyVXHSDGZMRLGSEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • neoflavans
  • oxacyclic compounds
  • stilbenes
    • Substituents
  • neoflavan
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • chromane
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • neoflavonoid skeleton
  • organoheterocyclic compound
  • organooxygen compound
  • stilbene