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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:26 UTC
Update Date2025-03-25 00:59:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234295
Frequency0.5
Structure
Chemical FormulaC11H12N2O3
Molecular Mass220.0848
SMILESCOC(=O)Cc1c[nH]c2ncc(OC)cc12
InChI KeyKUNQMWKRUXUPPH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyridines
Subclass pyrrolopyridines
Direct Parent pyrrolopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • azacyclic compounds
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methyl esters
  • methylpyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyrroles
    • Substituents
  • carbonyl group
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • methyl ester
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • pyrrolopyridine
  • heteroaromatic compound
  • methylpyridine
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • pyrrole
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound