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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:36 UTC
Update Date2025-03-25 00:56:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218908
Frequency0.5
Structure
Chemical FormulaC26H28O13
Molecular Mass548.153
SMILESCOc1ccc(C2c3cc(OC)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3C(O)C3COC(=O)C23)cc1O
InChI KeyPXXBPCDCZPANCE-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • alkyl glycosides
  • anisoles
  • aryltetralin lignans
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acyl glycosides of mono- and disaccharides
  • gamma butyrolactones
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • lignan lactones
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • naphthofurans
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
  • tetralins
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • lignan glycoside
  • o-glucuronide
  • methoxyphenol
  • monosaccharide
  • pyran carboxylic acid
  • lignan lactone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • methoxybenzene
  • anisole
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • tetralin
  • carbonyl group
  • ether
  • glucuronic acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-aryltetralin lignan
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyran carboxylic acid or derivatives
  • naphthofuran
  • tetrahydrofuran
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • benzenoid
  • organooxygen compound
  • alkyl glycoside