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 IDDMID02166771
Frequency0.5
Structure
Chemical FormulaC12H15NO
Molecular Mass189.1154
SMILESCC(C)(C)C1NC(=O)c2ccccc21
InChI KeyOWXLPLJHOQSUCX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindolines
Direct Parent isoindolones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • isoindoles
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • lactam
  • azacycle
  • isoindole
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • isoindolone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound