Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:26 UTC
Update Date2025-03-21 18:35:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104042
Frequency26.1
Structure
Chemical FormulaC12H13NO3
Molecular Mass219.0895
SMILESCC(=O)NC(Cc1ccccc1)C(O)=C=O
InChI KeyCKQWFEJIVXOPRU-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
  • acetamides
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • ynolates
  • Substituents
  • carbonyl group
  • carboxamide group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • ynolate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound
  • amphetamine or derivatives