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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:53:12 UTC
Update Date2025-03-25 00:29:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02045919
Frequency0.6
Structure
Chemical FormulaC36H61NO30
Molecular Mass987.3278
SMILESCC(=O)NC1C(O)CC(OC2CC(OCC3OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)CO)C4O)OC(CO)C3O)(C(=O)O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyHGAIEUMRZKZUBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • acetamides
  • alkyl glycosides
  • beta hydroxy acids and derivatives
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acid orthoesters
  • carboxylic acids
  • cyclohexanols
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • fatty acyl glycosides of mono- and disaccharides
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • quinic acids and derivatives
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • carbonyl group
  • ether
  • carboxylic acid
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • hydrolyzable tannin
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • fatty acyl glycoside
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • meta-dioxane
  • organooxygen compound
  • alkyl glycoside
  • quinic acid