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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:08 UTC
Update Date2025-03-25 00:59:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235899
Frequency0.5
Structure
Chemical FormulaC28H34O8
Molecular Mass498.2254
SMILESCOc1cc(CC2COC(=O)C2Cc2ccc(OC3OC(C(=O)O)C(C)C(C)C3C)cc2)ccc1O
InChI KeyBDFIKJJKJOHDAS-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
  • acetals
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • lignan lactones
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • dibenzylbutyrolactone
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lignan lactone
  • lactone
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound