Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:48 UTC
Update Date2025-03-25 00:51:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189471
Frequency0.5
Structure
Chemical FormulaC13H22NO+
Molecular Mass208.1696
SMILESCC(CC[N+](C)(C)C)c1ccc(O)cc1
InChI KeyDXGAOJXGNYNKEY-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amines
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organooxygen compounds
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • monocyclic benzene moiety
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound