Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:48 UTC
Update Date2025-03-21 18:39:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124171
Frequency20.7
Structure
Chemical FormulaC12H20N2O2
Molecular Mass224.1525
SMILESCN(C)CCOc1ccc(CCN)cc1O
InChI KeyZRIZXPHSVJRHAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organopnictogen compounds
  • phenoxy compounds
  • trialkylamines
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • tertiary amine
  • organooxygen compound