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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:57 UTC
Update Date2025-03-25 00:46:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153378
Frequency0.5
Structure
Chemical FormulaC14H14N2O3
Molecular Mass258.1004
SMILESCOc1ccc(Oc2ccc(NC(C)=O)cc2)cn1
InChI KeyRUBCTHHOMYFCNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetamides
  • acetanilides
  • alkyl aryl ethers
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • polyhalopyridines
  • secondary carboxylic acid amides
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organoheterocyclic compound
  • acetamide
  • azacycle
  • acetanilide
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • anilide
  • secondary carboxylic acid amide
  • pyridine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound