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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:26:42 UTC
Update Date2025-03-25 01:51:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02541029
Frequency0.5
Structure
Chemical FormulaC48H88N2O19
Molecular Mass996.5981
SMILESCCCCCCCCCCCC(O)CC(=O)NC1C(C(O)CO)OC(COC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)C(O)CO)O2)C(O)C1OC(=O)CC(O)CCCCCCCCCCC
InChI KeyJBANBIQHPQSFKS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • fatty amide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • carboxamide group
  • n-acyl-amine
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound