Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:28 UTC
Update Date2025-03-21 18:41:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135115
Frequency18.6
Structure
Chemical FormulaC13H13NO2
Molecular Mass215.0946
SMILESNCc1ccc(Oc2ccc(O)cc2)cc1
InChI KeyJTJXAGJXHRWKQU-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
  • diarylethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • diphenylether
  • organooxygen compound