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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:40 UTC
Update Date2025-03-25 00:56:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221392
Frequency0.5
Structure
Chemical FormulaC25H24O14
Molecular Mass548.1166
SMILESO=C(O)C1OC(Oc2cc(C3c4cc5c(cc4C(O)C4COC(=O)C34)OCO5)cc(O)c2O)C(O)C(O)C1O
InChI KeyYQEGYWDQHKLMJU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan lactones
Subclass podophyllotoxins
Direct Parent podophyllotoxins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • aryltetralin lignans
  • benzodioxoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • furanonaphthodioxoles
  • gamma butyrolactones
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • lignan glycosides
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
  • tetralins
    • Substituents
  • linear furanonaphthodioxole
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • podophyllotoxin
  • glucuronic acid or derivatives
  • lignan glycoside
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-aryltetralin lignan
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lactone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • organoheterocyclic compound
  • benzodioxole
  • alcohol
  • pyran carboxylic acid or derivatives
  • naphthofuran
  • tetrahydrofuran
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • organic oxygen compound
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound