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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:21 UTC
Update Date2025-03-25 00:50:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179301
Frequency0.5
Structure
Chemical FormulaC23H22O12
Molecular Mass490.1111
SMILESCOc1ccc(C2COC(=O)c3cc4c(cc32)OCO4)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyWYXIJIVOOJFHRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-benzopyrans
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzodioxoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • lactones
  • methoxybenzenes
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lactone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • isochromane
  • oxane
  • organoheterocyclic compound
  • benzodioxole
  • hydrolyzable tannin
  • alcohol
  • benzopyran
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • carboxylic acid ester
  • 2-benzopyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound