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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:49 UTC
Update Date2025-03-25 00:59:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235218
Frequency0.5
Structure
Chemical FormulaC24H24O9
Molecular Mass456.142
SMILESCOC(=O)C1c2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C2C(=O)OCC12)OCO3
InChI KeyVYAGYIQKKQZHRM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan lactones
Subclass lignan lactones
Direct Parent lignan lactones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • aryltetralin lignans
  • benzodioxoles
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • furanonaphthodioxoles
  • gamma butyrolactones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methyl esters
  • naphthalenecarboxylic acids
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • tetrahydrofurans
  • tetralins
    • Substituents
  • linear furanonaphthodioxole
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-aryltetralin lignan
  • 1-naphthalenecarboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • lignan lactone
  • lactone
  • organic oxide
  • methyl ester
  • acetal
  • aromatic heteropolycyclic compound
  • organoheterocyclic compound
  • benzodioxole
  • naphthofuran
  • tetrahydrofuran
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • organic oxygen compound
  • 1-naphthalenecarboxylic acid or derivatives
  • anisole
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound