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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:15 UTC
Update Date2025-03-25 00:46:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154100
Frequency0.5
Structure
Chemical FormulaC30H38O8
Molecular Mass526.2567
SMILESCOc1cc(CCC(O)CC(Cc2ccc(O)c(OC)c2)C(CO)Cc2ccc(O)c(OC)c2)ccc1O
InChI KeyCKFYLHPZKULLPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdiarylheptanoids
Subclass linear diarylheptanoids
Direct Parent linear diarylheptanoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dibenzylbutane lignans
  • fatty alcohols
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • norlignan skeleton
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • fatty alcohol
  • anisole
  • secondary alcohol
  • linear 1,7-diphenylheptane skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organooxygen compound