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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:08:34 UTC
Update Date2025-03-21 18:30:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00082747
Frequency34.9
Structure
Chemical FormulaC24H24O8
Molecular Mass440.1471
SMILESCOc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C=CC23)OCO4)cc(OC)c1OC
InChI KeyMOURFGCUVSEMKY-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
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
  • tetralins
    • Substituents
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-aryltetralin lignan
  • alkyl aryl ether
  • carboxylic acid derivative
  • lignan lactone
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organoheterocyclic compound
  • benzodioxole
  • enoate ester
  • alcohol
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound