Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:02:04 UTC
Update Date2025-03-24 14:09:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00775394
Frequency1.9
Structure
Chemical FormulaC8H11NO
Molecular Mass137.0841
SMILESO=C1CC2C=CCCC2N1
InChI KeyLIXRIJXAGVEVTD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • indolines
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • indole
  • carboxamide group
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • dihydroindole
  • pyrrolidone
  • organooxygen compound