Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:14 UTC
Update Date2025-03-21 18:02:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00041465
Frequency82.8
Structure
Chemical FormulaC11H18N2O2
Molecular Mass210.1368
SMILESCC(C)NCC(O)COc1cccnc1
InChI KeySJAATJATLORBGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • alkyl aryl ether
  • secondary amine
  • pyridine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine