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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:36 UTC
Update Date2025-03-21 17:59:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00018874
Frequency218.4
Structure
Chemical FormulaC14H16O9
Molecular Mass328.0794
SMILESO=C(OC1CC(O)(C(=O)O)CC(O)C1O)c1ccc(O)c(O)c1
InChI KeyGAGRJYCXBMXQOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent quinic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha hydroxy acids and derivatives
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • cyclohexanols
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • m-hydroxybenzoic acid esters
  • p-hydroxybenzoic acid alkyl esters
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • p-hydroxybenzoic acid ester
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzoate ester
  • carboxylic acid derivative
  • organic oxide
  • m-hydroxybenzoic acid ester
  • cyclohexanol
  • benzoic acid or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • p-hydroxybenzoic acid alkyl ester
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • quinic acid