Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:43 UTC
Update Date2025-03-25 00:48:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170941
Frequency0.5
Structure
Chemical FormulaC11H17NO
Molecular Mass179.131
SMILESCNCC(C)c1ccc(O)c(C)c1
InChI KeyXXDCTXDDBPUCPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent ortho cresols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • toluenes
  • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • o-cresol
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • toluene
  • organooxygen compound
  • amine