Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:04 UTC
Update Date2025-03-25 00:54:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208274
Frequency0.5
Structure
Chemical FormulaC14H24NO2+
Molecular Mass238.1802
SMILESCC(CC(O)c1ccc(O)cc1)C[N+](C)(C)C
InChI KeyLJYUMHIDBJNXMF-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • amines
  • aromatic alcohols
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • tetraalkylammonium salts
  • Substituents
  • aromatic alcohol
  • alcohol
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound