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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:50 UTC
Update Date2025-03-25 00:56:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219470
Frequency0.5
Structure
Chemical FormulaC16H16O8S
Molecular Mass368.0566
SMILESCOc1cc(C=CC(O)c2ccc(OS(=O)(=O)O)c(O)c2)ccc1O
InChI KeyGDMPFUHGWVIYQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass cinnamylphenols
Direct Parent cinnamylphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • cinnamyl alcohols
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • aromatic alcohol
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cinnamyl alcohol
  • cinnamylphenol
  • alkyl aryl ether
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • alcohol
  • organic sulfuric acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound