Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:26 UTC
Update Date2025-03-21 18:40:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128089
Frequency19.9
Structure
Chemical FormulaC16H27NO
Molecular Mass249.2093
SMILESCN(C)CCCC(O)c1ccc(C(C)(C)C)cc1
InChI KeyHBDDCHDKJBKUAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenylpropanes
  • secondary alcohols
  • trialkylamines
  • Substituents
  • aromatic alcohol
  • alcohol
  • tertiary aliphatic amine
  • phenylpropane
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound