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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:46 UTC
Update Date2025-03-25 00:56:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219324
Frequency0.5
Structure
Chemical FormulaC26H36O11
Molecular Mass524.2258
SMILESCOc1cc(CC(CO)C(COCC2OC(O)C(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1O
InChI KeyQVMFEMSSDWCXNV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classdibenzylbutane lignans
Subclass dibenzylbutane lignans
Direct Parent dibenzylbutane lignans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • alkyl aryl ether
  • dialkyl ether
  • dibenzylbutane lignan skeleton
  • saccharide
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound