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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:51 UTC
Update Date2025-03-25 01:01:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249040
Frequency0.5
Structure
Chemical FormulaC20H20O8S
Molecular Mass420.0879
SMILESCOc1ccc(C=CC(=O)C=Cc2cc(OC)c(OS(=O)(=O)O)c(OC)c2)cc1
InChI KeyNGMOZOJNYOXGNM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • sulfuric acid monoester
  • ether
  • alkyl aryl ether
  • alpha,beta-unsaturated ketone
  • ketone
  • dimethoxybenzene
  • phenylsulfate
  • cinnamic acid or derivatives
  • organic oxide
  • arylsulfate
  • enone
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound