Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:13 UTC
Update Date2025-03-25 00:46:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156307
Frequency0.5
Structure
Chemical FormulaC10H13NO2
Molecular Mass179.0946
SMILESCc1c(O)ccc(CC(N)=O)c1C
InChI KeyDJHRGDBHZYEHLI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetamides
Direct Parent phenylacetamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • meta cresols
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho cresols
  • primary carboxylic acid amides
  • o-xylenes
  • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • m-cresol
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxamide group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • o-xylene
  • organic oxygen compound
  • o-cresol
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenylacetamide
  • organooxygen compound