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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:04:51 UTC
Update Date2025-03-25 01:42:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02490435
Frequency0.5
Structure
Chemical FormulaC31H54N2O26
Molecular Mass870.2965
SMILESCC(=O)NC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)OC(C(O)C(O)CO)C(NC4OC(CO)C(O)C(O)C4O)C(C(O)C(O)CO)O3)C2O)C(O)C1O
InChI KeyFZOHNYJHQFTTSG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorthocarboxylic acid derivatives
Subclass carboxylic acid orthoesters
Direct Parent carboxylic acid orthoesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • acetals
  • acetamides
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hemiaminals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • ortho ester
  • amino acid or derivatives
  • amino acid
  • monosaccharide
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • hemiaminal
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • meta-dioxane
  • organooxygen compound
  • amine