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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:01 UTC
Update Date2025-03-25 00:59:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235674
Frequency0.5
Structure
Chemical FormulaC12H13NO3
Molecular Mass219.0895
SMILESCOc1ccc2[nH]cc(CCO)c(c1)c2=O
InChI KeySSXXFYTWLWKOSG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasshydrocarbon derivatives
Classtropones
Subclass tropones
Direct Parent tropones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alcohols and polyols
  • alkyl aryl ethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydroxypyridines
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • alcohol
  • ether
  • tropone
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • alkyl aryl ether
  • organic oxide
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound