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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:23 UTC
Update Date2025-03-25 00:46:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154398
Frequency0.5
Structure
Chemical FormulaC42H61NO24
Molecular Mass963.3584
SMILESCOc1cc(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)Cc2ccc(O)c(O)c2)ccc1O
InChI KeyYQMVVSOGDXQYBN-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
  • acetamides
  • alkyl aryl ethers
  • alkyl glycosides
  • anisoles
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • dibenzylbutane lignans
  • fatty acyl glycosides of mono- and disaccharides
  • hydrocarbon derivatives
  • ketals
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • lignan glycoside
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dibenzylbutane lignan skeleton
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • methoxybenzene
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • alkyl glycoside