Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:31 UTC
Update Date2025-03-25 00:49:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177410
Frequency0.5
Structure
Chemical FormulaC14H15NO2
Molecular Mass229.1103
SMILESCOCCc1ccc(Oc2cccnc2)cc1
InChI KeyLFXMJTXHUULIBY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • tyrosols and derivatives
  • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • dialkyl ether
  • pyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • tyrosol derivative
  • organic nitrogen compound
  • phenoxy compound
  • organoheterocyclic compound