Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:05 UTC
Update Date2025-03-25 00:54:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208322
Frequency0.5
Structure
Chemical FormulaC15H20N2O2
Molecular Mass260.1525
SMILESCC(C)CCNC(=O)CC1C(O)=Nc2ccccc21
InChI KeyBQVLNBPYMUVGNC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent 3-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • azacycle
  • 3-alkylindole
  • organic 1,3-dipolar compound
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound