Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:21 UTC
Update Date2025-03-25 01:02:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254685
Frequency0.5
Structure
Chemical FormulaC12H11NO2
Molecular Mass201.079
SMILESCC1=C(CC(N)=O)C(=O)c2ccccc21
InChI KeyJHSZQDWMRNRJTA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindenes and isoindenes
Subclass indenes and isoindenes
Direct Parent indenes and isoindenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl ketones
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • aromatic homopolycyclic compound
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • indene
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • aryl ketone