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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:03 UTC
Update Date2025-03-25 00:58:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228879
Frequency0.5
Structure
Chemical FormulaC14H23NO11
Molecular Mass381.1271
SMILESCC(=O)NC1C(C(=O)O)OC(OC(CCC(=O)O)C(O)CO)C(O)C1O
InChI KeyPEYCTFMJCQRVMG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monosaccharides
  • 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
  • carboxylic acid
  • glucuronic acid or derivatives
  • heterocyclic fatty acid
  • monosaccharide
  • fatty acid
  • carboxylic acid derivative
  • pyran carboxylic acid
  • medium-chain hydroxy acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • pyran carboxylic acid or derivatives
  • carboxamide group
  • amino fatty acid
  • oxacycle
  • secondary carboxylic acid amide
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound