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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:21:27 UTC
Update Date2025-03-24 22:02:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01970076
Frequency0.6
Structure
Chemical FormulaC35H51NO24
Molecular Mass869.2801
SMILESCC(=O)NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI KeyPPUWUMYISGEHLY-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
  • acetals
  • acetamides
  • alkyl glycosides
  • alpha-hydroxyaldehydes
  • benzene and substituted derivatives
  • beta-hydroxy aldehydes
  • enoate esters
  • fatty acid esters
  • fatty acyl glycosides of mono- and disaccharides
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • monocyclic benzene moiety
  • carbonyl group
  • beta-hydroxy aldehyde
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • n-acyl-alpha-hexosamine
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • enoate ester
  • alcohol
  • fatty acyl glycoside
  • aldehyde
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • hydroxycinnamic acid
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl glycoside