Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:21 UTC
Update Date2025-03-21 17:58:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00016155
Frequency265.6
Structure
Chemical FormulaC13H15NO2
Molecular Mass217.1103
SMILESCCOC(=O)CCc1c[nH]c2ccccc12
InChI KeyZMGHKYYNDUANOZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • fatty acyl
  • carbonyl group
  • azacycle
  • indole
  • heteroaromatic compound
  • carboxylic acid derivative
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound