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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:29 UTC
Update Date2025-03-25 00:55:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214064
Frequency0.5
Structure
Chemical FormulaC14H17NO8
Molecular Mass327.0954
SMILESC=CC1=C(C)C(=COC2OC(C(=O)O)C(O)C(O)C2O)NC1=O
InChI KeyBOLQGLNSKQUMBJ-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
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • pyrrolines
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • hydroxy acid
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrroline
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound