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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:00 UTC
Update Date2025-03-25 01:01:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251710
Frequency0.5
Structure
Chemical FormulaC12H15NO11
Molecular Mass349.0645
SMILESO=C=C(CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)NCC(=O)O
InChI KeyCADBYXXDLJEKFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alpha amino acids
  • amino acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dialkylamines
  • fatty acid esters
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • tricarboxylic acids and derivatives
  • ynolates
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • o-glucuronide
  • monosaccharide
  • tricarboxylic acid or derivatives
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • secondary aliphatic amine
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • secondary amine
  • oxacycle
  • fatty acid ester
  • ynolate
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine