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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:39 UTC
Update Date2025-03-25 00:49:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177739
Frequency0.5
Structure
Chemical FormulaC25H28O11
Molecular Mass504.1632
SMILESCOc1cc(C2OCC3C(c4ccc(O)cc4)OCC23)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyZQYKLWQKQYFMKK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan glycosides
Subclass lignan glycosides
Direct Parent lignan glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • alkyl glycosides
  • anisoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • fatty acyl glycosides of mono- and disaccharides
  • furan lignans
  • furofuran lignans
  • furofurans
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • furofuran lignan skeleton
  • lignan glycoside
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • furofuran
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • hydroxy acid
  • methoxybenzene
  • oxacycle
  • furan lignan skeleton
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • anisole
  • furanoid lignan
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • alkyl glycoside