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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:23 UTC
Update Date2025-03-25 00:46:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156677
Frequency0.5
Structure
Chemical FormulaC22H22O7
Molecular Mass398.1366
SMILESO=C1CCC(Cc2ccc(Oc3ccc(O)c(CC4CCC(=O)O4)c3)c(O)c2)O1
InChI KeyDADDJCBVALCDLF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan lactones
Subclass lignan lactones
Direct Parent lignan lactones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • diarylethers
  • dicarboxylic acids and derivatives
  • diphenylethers
  • gamma butyrolactones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • lignan lactone
  • lactone
  • organic oxide
  • organoheterocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • diphenylether
  • organooxygen compound