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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:59 UTC
Update Date2025-03-21 18:39:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127015
Frequency20.1
Structure
Chemical FormulaC19H24O9S
Molecular Mass428.1141
SMILESCOc1cc(CC(CO)C(CO)Cc2ccc(O)c(OS(=O)(=O)O)c2)ccc1O
InChI KeyNQICVVZDVKQPML-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
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • primary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • phenylsulfate
  • dibenzylbutane lignan skeleton
  • organic oxide
  • arylsulfate
  • primary alcohol
  • alcohol
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound