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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:46 UTC
Update Date2025-03-25 00:47:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161904
Frequency0.5
Structure
Chemical FormulaC23H28N2O8
Molecular Mass460.1846
SMILESO=C(O)C1OC(Oc2ccc3nccc(C(O)C4CC5CCN4CC5)c3c2)C(O)C(O)C1O
InChI KeyMFSHEJLIGZNTHY-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
  • 1,2-aminoalcohols
  • 2-halopyridines
  • 4-quinolinemethanols
  • acetals
  • amino acids
  • aromatic alcohols
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • piperidines
  • polyhalopyridines
  • pyran carboxylic acids
  • quinuclidines
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • phenol ether
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • polyhalopyridine
  • quinuclidine
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • oxane
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • 1,2-aminoalcohol
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • 4-quinolinemethanol
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyridine
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine