Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:52 UTC
Update Date2025-03-25 00:48:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166748
Frequency0.5
Structure
Chemical FormulaC11H13NO3
Molecular Mass207.0895
SMILESCC(=O)NCc1ccccc1CC(=O)O
InChI KeyPFSABWGQECHMHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • carboxamide group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound