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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:43 UTC
Update Date2025-03-25 00:50:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180158
Frequency0.5
Structure
Chemical FormulaC26H24O9
Molecular Mass480.142
SMILESCOc1cc(C=CC(=O)OC(Cc2ccc(O)c(O)c2)C(=O)Cc2ccc(O)c(O)c2)ccc1O
InChI KeyFXANNILDWYUNRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
ClassNot Available
Subclass lignans, neolignans and related compounds
Direct Parent lignans, neolignans and related compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • alpha-acyloxy ketones
  • anisoles
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • ketones
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alpha-acyloxy ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • norlignan skeleton
  • alkyl aryl ether
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • ketone
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • organic oxide
  • enoate ester
  • 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