Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:56 UTC
Update Date2025-03-25 00:46:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155687
Frequency0.5
Structure
Chemical FormulaC12H15NO3
Molecular Mass221.1052
SMILESCC(=O)C(=O)NC(C)Cc1ccc(O)cc1
InChI KeyREXUWRUDRUUBSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent amphetamines and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylpropanes
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • phenylpropane
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amphetamine or derivatives