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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:23 UTC
Update Date2025-03-21 18:04:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00049045
Frequency67.4
Structure
Chemical FormulaC16H14O7
Molecular Mass318.074
SMILESO=C(OC(Cc1ccc(O)c(O)c1)C(=O)O)c1ccc(O)cc1
InChI KeyUPUPTRMNZLEZBL-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
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • p-hydroxybenzoic acid alkyl esters
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • p-hydroxybenzoic acid ester
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzoic acid or derivatives
  • benzoate ester
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • p-hydroxybenzoic acid alkyl ester
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound