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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:15:54 UTC
Update Date2025-03-24 20:14:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01385329
Frequency0.9
Structure
Chemical FormulaC37H61N3O27
Molecular Mass979.3492
SMILESCC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)C3NC(C)=O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyKQFHDUCXRSMOGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • cyclohexanols
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • quinic acids and derivatives
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • hydrolyzable tannin
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • cyclohexanol
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • quinic acid