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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:13 UTC
Update Date2025-03-25 00:51:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185812
Frequency0.5
Structure
Chemical FormulaC15H18N4O10
Molecular Mass414.1023
SMILESNc1nc2c(CC(=O)OCOC3OC(C(=O)O)C(O)C(O)C3O)c[nH]c2c(=O)[nH]1
InChI KeyUJCCUQCCDNXRIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • amino acids
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary amines
  • pyran carboxylic acids
  • pyrimidones
  • pyrroles
  • pyrrolopyrimidines
  • secondary alcohols
  • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • o-glucuronide
  • monosaccharide
  • pyrimidone
  • carboxylic acid derivative
  • pyran carboxylic acid
  • pyrimidine
  • 1-o-glucuronide
  • pyrrolopyrimidine
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxy acid
  • oxacycle
  • pyran
  • pyrrole
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine