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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:02 UTC
Update Date2025-03-25 01:01:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249469
Frequency0.5
Structure
Chemical FormulaC33H44O18
Molecular Mass728.2528
SMILESCOc1cc(CC(CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(COC2OC(CO)C(O)C(O)C2O)Cc2ccc(O)c(O)c2)ccc1O
InChI KeyVUVLFAHUWHWTEW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan glycosides
Subclass lignan glycosides
Direct Parent lignan glycosides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • alkyl glycosides
  • anisoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dibenzylbutane lignans
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • fatty acyl glycosides of mono- and disaccharides
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • lignan glycoside
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • dibenzylbutane lignan skeleton
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • fatty acid ester
  • organic oxygen compound
  • pyran
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • alkyl glycoside