Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:11 UTC
Update Date2025-03-25 00:52:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194755
Frequency0.5
Structure
Chemical FormulaC12H19NO
Molecular Mass193.1467
SMILESCCN(Cc1ccc(O)cc1)C(C)C
InChI KeyBPSBPSRCQFCADZ-UHFFFAOYSA-N
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
  • aralkylamines
  • benzylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aralkylamine
  • aromatic homomonocyclic compound
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound