Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:01 UTC
Update Date2025-03-21 18:35:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107970
Frequency24.9
Structure
Chemical FormulaC12H19NO
Molecular Mass193.1467
SMILESCC(N)c1ccc(CC(C)(C)O)cc1
InChI KeyNPBDGPQFPOMZTH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • phenylpropane
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound