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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:00 UTC
Update Date2025-03-25 00:46:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157993
Frequency0.5
Structure
Chemical FormulaC19H22O16
Molecular Mass506.0908
SMILESO=C(O)c1ccc(OC2C(O)OC(C(=O)O)C(O)C2O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChI KeyGWYQEQOBESCGQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • benzoic acids
  • benzoyl derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • tricarboxylic acids and derivatives
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • benzoyl
  • o-glucuronide
  • monosaccharide
  • tricarboxylic acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • hemiacetal
  • benzoic acid
  • oxane
  • organoheterocyclic compound
  • hydrolyzable tannin
  • alcohol
  • pyran carboxylic acid or derivatives
  • benzoic acid or derivatives
  • hydroxy acid
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound