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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 IDDMID02154396
Frequency0.5
Structure
Chemical FormulaC31H44O19S
Molecular Mass752.2198
SMILESCOc1cc(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(COS(=O)(=O)O)C(O)C(O)C2O)Cc2ccc(O)c(O)c2)ccc1O
InChI KeyKETKJVSGYJRHHL-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
  • alkyl sulfates
  • anisoles
  • dibenzylbutane lignans
  • fatty acyl glycosides of mono- and disaccharides
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aromatic heteromonocyclic compound
  • lignan glycoside
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • alkyl aryl ether
  • dibenzylbutane lignan skeleton
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound
  • alkyl glycoside