Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:42 UTC
Update Date2025-03-25 00:53:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202848
Frequency0.5
Structure
Chemical FormulaC11H12N2O
Molecular Mass188.095
SMILESO=C1CCC2Nc3ccccc3C2N1
InChI KeyFZVWPZHXACQJQE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • delta lactams
  • hydrocarbon derivatives
  • indolines
  • organic oxides
  • organopnictogen compounds
  • piperidinones
  • secondary alkylarylamines
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • lactam
  • amino acid or derivatives
  • indole
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • dihydroindole
  • piperidine
  • azacycle
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • delta-lactam
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound