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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:31:51 UTC
Update Date2025-03-25 00:43:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02136933
Frequency0.6
Structure
Chemical FormulaC40H70N2O29
Molecular Mass1042.4064
SMILESCC(=O)NC1C(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3N(C)C)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI KeyRTQDJDNLTXQNHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent aminoglycosides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • acetals
  • acetamides
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • aminoglycoside core
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • tertiary amine
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine