Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:23 UTC
Update Date2025-03-21 18:38:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118581
Frequency22.0
Structure
Chemical FormulaC10H16NO+
Molecular Mass166.1226
SMILESC[N+](C)(C)Cc1cccc(O)c1
InChI KeyCNKSWCLSTGWELB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylmethylamines
Direct Parent phenylmethylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aralkylamines
  • benzylamines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organooxygen compounds
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aralkylamine
  • aromatic homomonocyclic compound
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound