Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:13 UTC
Update Date2025-03-25 00:49:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172064
Frequency0.5
Structure
Chemical FormulaC13H21NO
Molecular Mass207.1623
SMILESCNC(C)c1ccc(CC(C)CO)cc1
InChI KeyINXLILMIKWCZEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound
  • amine