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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:15 UTC
Update Date2025-03-25 00:46:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156375
Frequency0.5
Structure
Chemical FormulaC15H18NO8+
Molecular Mass340.1027
SMILESC[n+]1cccc(C=CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChI KeyONZYUSPPUUGELI-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monosaccharides
  • n-methylpyridinium compounds
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • alpha,beta-unsaturated carboxylic ester
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • oxane
  • organoheterocyclic compound
  • enoate ester
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • hydroxy acid
  • oxacycle
  • fatty acid ester
  • pyridine
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound