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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:21 UTC
Update Date2025-03-25 00:46:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154328
Frequency0.5
Structure
Chemical FormulaC29H32O8
Molecular Mass508.2097
SMILESCOc1cc(C=CC(=O)OCC(Cc2ccc(O)c(OC)c2)C(CO)Cc2cccc(O)c2)ccc1O
InChI KeyZSCAGQFBXAEDBQ-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
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • dibenzylbutane lignan skeleton
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • organic oxide
  • primary alcohol
  • enoate ester
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound