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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:56:58 UTC
Update Date2025-03-21 18:05:07 UTC
HMDB IDHMDB0137928
Metabolite Identification
DeepMet IDDMID00054962
Name3,4,5-trihydroxy-6-[(2-oxo-2H-chromen-4-yl)oxy]oxane-2-carboxylic acid
Frequency58.4
Structure
Chemical FormulaC15H14O9
Molecular Mass338.0638
SMILESO=C(O)C1OC(Oc2cc(=O)oc3ccccc23)C(O)C(O)C1O
InChI KeyRPKXVYRDWJPMET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarin glycosides
Direct Parent coumarin glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • acetals
  • benzenoids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • pyranones and derivatives
  • secondary alcohols
  • vinylogous esters
    • Substituents
  • carbonyl group
  • carboxylic acid
  • coumarin o-glycoside
  • glucuronic acid or derivatives
  • 1-benzopyran
  • o-glucuronide
  • monosaccharide
  • coumarin-4-o-glycoside
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lactone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • pyran carboxylic acid or derivatives
  • vinylogous ester
  • heteroaromatic compound
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound