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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:42:55 UTC
Update Date2025-03-24 20:52:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01593009
Frequency0.8
Structure
Chemical FormulaC52H87N3O38
Molecular Mass1361.4968
SMILESCC(=O)NC1C(OCC2OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC3OC(COC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)C4)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI KeyLLBGTXZHLPRYRO-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
  • acetamides
  • alkyl glycosides
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids
  • cyclic alcohols and derivatives
  • cyclohexanols
  • dialkyl ethers
  • fatty acyl glycosides of mono- and disaccharides
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • quinic acids and derivatives
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • beta-hydroxy aldehyde
  • carbonyl group
  • ether
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • n-acyl-alpha-hexosamine
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • hydrolyzable tannin
  • alcohol
  • fatty acyl glycoside
  • cyclohexanol
  • aldehyde
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkyl glycoside
  • quinic acid