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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:00 UTC
Update Date2025-03-25 00:45:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151126
Frequency0.5
Structure
Chemical FormulaC11H14N2O3
Molecular Mass222.1004
SMILESCn1cc(C(O)C(O)CO)c2cccnc21
InChI KeyVPCXYIUEQCWABY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyridines
Subclass pyrrolopyridines
Direct Parent pyrrolopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • n-methylpyrroles
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary alcohols
  • secondary alcohols
  • substituted pyrroles
    • Substituents
  • aromatic alcohol
  • alcohol
  • n-methylpyrrole
  • azacycle
  • pyrrolopyridine
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • substituted pyrrole
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound