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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:56 UTC
Update Date2025-03-21 18:36:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110206
Frequency24.2
Structure
Chemical FormulaC10H16O9
Molecular Mass280.0794
SMILESO=C(OC1C(O)CC(O)(C(=O)O)CC1O)C(O)CO
InChI KeyCXGWODCHHTUQQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • cyclohexanols
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • primary alcohols
  • quinic acids and derivatives
  • sugar acids and derivatives
  • tertiary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • glyceric_acid
  • primary alcohol
  • hydrolyzable tannin
  • alcohol
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • tertiary alcohol
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound
  • quinic acid