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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:00:35 UTC
Update Date2025-03-24 14:09:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00771884
Frequency2.0
Structure
Chemical FormulaC40H58N2O27
Molecular Mass998.3227
SMILESCC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(=O)C=Cc4ccc(O)c(O)c4)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyVSRUGNUQABDLIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetamides
  • benzene and substituted derivatives
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • ketals
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • hydroxycinnamic acid or derivatives
  • n-acyl-alpha-hexosamine
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • organic oxide
  • acetal
  • ketal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • enoate ester
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • hydroxycinnamic acid
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound