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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:36 UTC
Update Date2025-03-25 00:50:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179864
Frequency0.5
Structure
Chemical FormulaC25H30O11
Molecular Mass506.1788
SMILESCOc1cc(CC2C(=O)OCC2Cc2cccc(O)c2)ccc1OC1OC(C(O)O)C(O)C(O)C1O
InChI KeyQPJKXRJEBDKMSA-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
  • anisoles
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acid esters
  • dibenzylbutyrolactone lignans
  • fatty acyl glycosides of mono- and disaccharides
  • gamma butyrolactones
  • hydrocarbon derivatives
  • lignan lactones
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • lignan glycoside
  • dibenzylbutyrolactone
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • lignan lactone
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • 9,9p-epoxylignan
  • oxane
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • furanoid lignan
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • tetrahydrofuran lignan
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • alkyl glycoside