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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:52 UTC
Update Date2025-03-25 00:47:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162104
Frequency0.5
Structure
Chemical FormulaC14H20O14
Molecular Mass412.0853
SMILESO=C(O)C1OC(OC2(C(=O)O)CC(O)C(C(=O)O)C(O)C2O)C(O)C(O)C1O
InChI KeyKEEWFBPSFJOJAC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclohexanols
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • quinic acids and derivatives
  • tricarboxylic acids and derivatives
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • oxane
  • organoheterocyclic compound
  • hydrolyzable tannin
  • alcohol
  • pyran carboxylic acid or derivatives
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • quinic acid