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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:45 UTC
Update Date2025-03-25 00:46:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155257
Frequency0.5
Structure
Chemical FormulaC19H20O6
Molecular Mass344.126
SMILESCc1cc(O)cc(O)c1CC1C(=O)OCC1Cc1ccc(O)c(O)c1
InChI KeySJUJFSNHEZDWQS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classfuranoid lignans
Subclass tetrahydrofuran lignans
Direct Parent dibenzylbutyrolactone lignans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • lignan lactones
  • meta cresols
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • resorcinols
  • tetrahydrofurans
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • dibenzylbutyrolactone
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • resorcinol
  • lignan lactone
  • lactone
  • organic oxide
  • organoheterocyclic compound
  • m-cresol
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • toluene
  • organooxygen compound