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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:38:48 UTC
Update Date2025-03-25 01:31:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02429227
Frequency0.5
Structure
Chemical FormulaC41H68N2O32
Molecular Mass1100.3755
SMILESCC(=O)NC1C(O)CC(O)(C(=O)O)CC1OOC1OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2NC(C)=O)C1CO
InChI KeyLXVROWGHNSQPRD-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 hydroxy acids and derivatives
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids
  • cyclohexanols
  • dialkyl peroxides
  • 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
  • tertiary alcohols
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • beta-hydroxy aldehyde
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • dialkyl peroxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • hydrolyzable tannin
  • alcohol
  • fatty acyl glycoside
  • cyclohexanol
  • aldehyde
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkyl glycoside
  • quinic acid