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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:18:34 UTC
Update Date2025-03-21 23:13:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00670921
Frequency2.3
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESCOc1cccc[n+]1[O-]
InChI KeyNYWWLAGHUMTSBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • alkyl aryl ether
  • organic oxide
  • pyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organoheterocyclic compound