Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:21 UTC
Update Date2025-03-21 18:36:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111221
Frequency23.9
Structure
Chemical FormulaC16H19NO
Molecular Mass241.1467
SMILESNCCCC(O)(c1ccccc1)c1ccccc1
InChI KeyJKCIBJBXGYQMEN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylbutylamines
  • tertiary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • diphenylmethane
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound