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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:09 UTC
Update Date2025-03-21 18:40:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129816
Frequency19.6
Structure
Chemical FormulaC13H16O9
Molecular Mass316.0794
SMILESO=C(O)c1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1
InChI KeyZABGRNGGJZBHDJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxybenzoic acid derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • benzoic acid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • hydrolyzable tannin
  • alcohol
  • benzoic acid or derivatives
  • hydroxybenzoic acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound