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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:07 UTC
Update Date2025-03-25 00:57:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222463
Frequency0.5
Structure
Chemical FormulaC18H16O7
Molecular Mass344.0896
SMILESO=CC(O)C(OC(=O)C=Cc1ccc(O)c(O)c1)c1ccc(O)cc1
InChI KeyFRRAFBLYIWRKOZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass hydroxycinnamic acids and derivatives
Direct Parent hydroxycinnamic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha-hydroxyaldehydes
  • benzyloxycarbonyls
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • benzyloxycarbonyl
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • enoate ester
  • alcohol
  • aldehyde
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound