Hmdb loader

Showing information for DMID02224668

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:06 UTC
Update Date2025-03-25 00:57:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224668
Frequency0.5
Structure
Chemical FormulaC13H14N2O2
Molecular Mass230.1055
SMILESNCCc1ccc(Oc2ccc(O)cc2)cn1
InChI KeyQINJEQXTBWIOLL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • polyhalopyridines
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyridine
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound
  • phenoxy compound
  • organoheterocyclic compound