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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:38 UTC
Update Date2025-03-21 18:06:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00063669
Frequency48.4
Structure
Chemical FormulaC15H16O9
Molecular Mass340.0794
SMILESO=C(O)c1ccccc1C(=O)OC1C(O)CC(O)(C(=O)O)CC1O
InChI KeyDGSMPOYBOPYQAE-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-carboxy-2-haloaromatic compounds
  • alpha hydroxy acids and derivatives
  • benzoic acid esters
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclohexanols
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • tricarboxylic acids and derivatives
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • benzoyl
  • tricarboxylic acid or derivatives
  • benzoate ester
  • carboxylic acid derivative
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • cyclohexanol
  • benzoic acid or derivatives
  • hydroxy acid
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • quinic acid