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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:44 UTC
Update Date2025-03-25 00:48:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166450
Frequency0.5
Structure
Chemical FormulaC18H20O10
Molecular Mass396.1056
SMILESCC(=O)OC(=O)C1(O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1
InChI KeyNJROQGVTDONUKU-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
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid anhydrides
  • cyclohexanols
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • organic oxides
  • tertiary alcohols
  • tricarboxylic acids and derivatives
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • organic oxide
  • enoate ester
  • cyclohexanol
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • fatty acid ester
  • tertiary alcohol
  • carboxylic acid ester
  • carboxylic acid anhydride
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • quinic acid