Hmdb loader

Showing information for DMID02202233

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:26 UTC
Update Date2025-03-25 00:53:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202233
Frequency0.5
Structure
Chemical FormulaC13H22NO2+
Molecular Mass224.1645
SMILESC[N+](C)(C)CC(O)CCc1ccccc1O
InChI KeyGWTSYXHKTSYWQB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • amines
  • cholines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • alcohol
  • tetraalkylammonium salt
  • 1,2-aminoalcohol
  • quaternary ammonium salt
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • choline
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound