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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:47:40 UTC
Update Date2025-03-25 01:11:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02310411
Frequency0.5
Structure
Chemical FormulaC32H53NO27
Molecular Mass883.2805
SMILESCC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)(C(=O)O)OC(C(O)C(O)CO)C1C(O)C(=O)O
InChI KeyKJOYQKAWZCQVNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent gamma amino acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • oxepanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • gamma amino acid or derivatives
  • alpha-hydroxy acid
  • monosaccharide
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • hydroxy acid
  • carboxamide group
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound