Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:45 UTC
Update Date2025-03-21 18:38:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119432
Frequency21.8
Structure
Chemical FormulaC15H18N2O2
Molecular Mass258.1368
SMILESO=C(O)C1CCCN1CCc1c[nH]c2ccccc12
InChI KeyOLWHOISISWTUKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent proline and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine carboxylic acids
  • trialkylamines
  • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid
  • indole
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyrrolidine carboxylic acid
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • proline or derivatives
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • indole or derivatives
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound