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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:49 UTC
Update Date2025-03-25 00:53:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200867
Frequency0.5
Structure
Chemical FormulaC17H17NO11
Molecular Mass411.0802
SMILESCOc1ccc2[nH]c(C(=O)O)cc(=O)c2c1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyDEFMUZFNKKLWRI-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
  • 2-halopyridines
  • acetals
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • hydroxypyridines
  • methylpyridines
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • polyhalopyridines
  • pyran carboxylic acids
  • pyridine-2-carboxylic acids
  • quinoline carboxylic acids
  • secondary alcohols
  • vinylogous amides
  • vinylogous esters
    • Substituents
  • pyridine carboxylic acid or derivatives
  • phenol ether
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • acetal
  • quinoline
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • dihydroquinoline
  • dihydroquinolone
  • pyridine
  • anisole
  • pyridine carboxylic acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • carbonyl group
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • pyridine-2-carboxylic acid
  • aromatic heteropolycyclic compound
  • organopnictogen compound
  • 2-halopyridine
  • pyran carboxylic acid or derivatives
  • vinylogous ester
  • hydroxypyridine
  • methylpyridine
  • hydroxy acid
  • oxacycle
  • pyran
  • secondary alcohol
  • quinoline-2-carboxylic acid
  • benzenoid
  • organic nitrogen compound