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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:17 UTC
Update Date2025-03-25 00:50:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183679
Frequency0.5
Structure
Chemical FormulaC22H20O5
Molecular Mass364.1311
SMILESO=C1OCC(Cc2cccc(O)c2)C1Cc1cc(O)cc2ccc(O)cc12
InChI KeyVWOXCJNWACHTNL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classfuranoid lignans
Subclass tetrahydrofuran lignans
Direct Parent dibenzylbutyrolactone lignans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • lignan lactones
  • monocarboxylic acids and derivatives
  • naphthols and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • dibenzylbutyrolactone
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • lignan lactone
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • 2-naphthol
  • organoheterocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound