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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:53 UTC
Update Date2025-03-25 00:54:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205570
Frequency0.5
Structure
Chemical FormulaC16H18N2O3
Molecular Mass286.1317
SMILESNCCc1cc(Oc2ccc(CC(N)=O)cc2)ccc1O
InChI KeyYAAAOWKQOASYDV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diarylethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylacetamides
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • diaryl ether
  • phenol ether
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxamide group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • diphenylether
  • phenylacetamide
  • organooxygen compound