Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:48 UTC
Update Date2025-03-21 17:58:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00012712
Frequency355.9
Structure
Chemical FormulaC15H25NO
Molecular Mass235.1936
SMILESCC(C)(C)c1cc(CN)cc(C(C)(C)C)c1O
InChI KeyHMPSHLKEYWJVJV-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
  • organooxygen compounds
  • organopnictogen compounds
  • phenols
  • Substituents
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound