Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:38 UTC
Update Date2025-03-25 00:45:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150275
Frequency0.5
Structure
Chemical FormulaC13H19NO
Molecular Mass205.1467
SMILESCC1=C(CC2NC(=O)C(C)=C2C)CCC1
InChI KeyJNFUTBDTTIBTJB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound