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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:01 UTC
Update Date2025-03-21 18:38:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122404
Frequency21.1
Structure
Chemical FormulaC20H22O10
Molecular Mass422.1213
SMILESO=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O
InChI KeyYOKAIRZJHVPWBX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • pyrogallols and derivatives
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • pyrogallol derivative
  • 3-phenylpropanoic-acid
  • benzenetriol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound