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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:52 UTC
Update Date2025-03-25 00:56:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217204
Frequency0.5
Structure
Chemical FormulaC15H16N2O3
Molecular Mass272.1161
SMILESOCC(O)C(O)Cn1c2ccccc2c2cccnc21
InChI KeyYAHBQLSKBXILEP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass pyridoindoles
Direct Parent alpha carbolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • indoles
  • n-alkylindoles
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary alcohols
  • pyrrolopyridines
  • secondary alcohols
  • substituted pyrroles
    • Substituents
  • n-alkylindole
  • indole
  • polyhalopyridine
  • substituted pyrrole
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • primary alcohol
  • alcohol
  • azacycle
  • pyrrolopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • pyridine
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • alpha-carboline
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound