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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:25 UTC
Update Date2025-03-25 00:50:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179456
Frequency0.5
Structure
Chemical FormulaC27H32O8
Molecular Mass484.2097
SMILESCOc1cccc(CC2COC(=O)C2Cc2ccc(O)c(OC3CC(C)C(C)C(C(=O)O)O3)c2)c1
InChI KeyARBVSRNSGLPGCL-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
  • 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
  • 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