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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:13:43 UTC
Update Date2025-03-25 01:45:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02511094
Frequency0.5
Structure
Chemical FormulaC42H73NO33
Molecular Mass1119.4065
SMILESCC1OC(OC2C(OC(C(O)CO)C(O)C(O)C=O)OC(CO)C(O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2NC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyHNRIUPJPFVITND-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl glycosides
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • dialkylamines
  • fatty acyl glycosides of mono- and disaccharides
  • hemiaminals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • beta-hydroxy aldehyde
  • carbonyl group
  • monosaccharide
  • hemiaminal
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • secondary aliphatic amine
  • fatty acyl glycoside
  • aldehyde
  • secondary amine
  • oxacycle
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • alkyl glycoside