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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:46 UTC
Update Date2025-03-25 00:57:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226117
Frequency0.5
Structure
Chemical FormulaC17H20N2O6
Molecular Mass348.1321
SMILESCC(=O)NC1C(Oc2ccc3ccccc3n2)OC(CO)C(O)C1O
InChI KeyNFRVAMLJTQOUFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetals
  • acetamides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • polyhalopyridines
  • primary alcohols
  • quinolones and derivatives
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • polyhalopyridine
  • monosaccharide
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • quinolone
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • pyridine
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound