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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:19 UTC
Update Date2025-03-25 00:50:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183756
Frequency0.5
Structure
Chemical FormulaC22H18O6
Molecular Mass378.1103
SMILESO=C1OC(c2ccc3cc(O)ccc3c2)C2COC(c3ccc(O)c(O)c3)C12
InChI KeyPBBJQNQOLDJADJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan lactones
Subclass lignan lactones
Direct Parent lignan lactones
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
  • dialkyl ethers
  • furan lignans
  • furofuran lignans
  • furofurans
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • naphthols and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • furofuran lignan skeleton
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • dialkyl ether
  • lignan lactone
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • furofuran
  • 2-naphthol
  • organoheterocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • furan lignan skeleton
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • carboxylic acid ester
  • furanoid lignan
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound