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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:24 UTC
Update Date2025-03-25 00:47:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163359
Frequency0.5
Structure
Chemical FormulaC22H19IO6
Molecular Mass506.0226
SMILESO=C(O)C(Cc1ccc(O)c(O)c1)Cc1ccc(Oc2ccc(O)cc2)c(I)c1
InChI KeyJLYJOIBFPNIRLJ-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
  • aryl iodides
  • carbonyl compounds
  • carboxylic acids
  • diarylethers
  • diphenylethers
  • hydrocarbon derivatives
  • iodobenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organoiodides
  • phenol ethers
  • phenoxy compounds
  • phenylpropanoic acids
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound