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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:24 UTC
Update Date2025-03-25 00:46:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154460
Frequency0.5
Structure
Chemical FormulaC27H30O8
Molecular Mass482.1941
SMILESCOc1cc(CC(CO)C(COC(=O)c2ccccc2O)Cc2ccc(O)c(OC)c2)ccc1O
InChI KeyANSRLYIEKIRJTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classdibenzylbutane lignans
Subclass dibenzylbutane lignans
Direct Parent dibenzylbutane lignans
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • benzoyl derivatives
  • carboxylic acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • primary alcohols
  • salicylic acid and derivatives
  • vinylogous acids
  • o-hydroxybenzoic acid esters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • benzoate ester
  • alkyl aryl ether
  • carboxylic acid derivative
  • dibenzylbutane lignan skeleton
  • organic oxide
  • primary alcohol
  • alcohol
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • salicylic acid or derivatives
  • o-hydroxybenzoic acid ester
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound