Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:52 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230704
Frequency0.5
Structure
Chemical FormulaC14H16N2O3
Molecular Mass260.1161
SMILESCN(CCC(=O)O)C(=O)Cc1c[nH]c2ccccc12
InChI KeyVYJWFQAWZFHKHX-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 acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • tertiary carboxylic acid amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • indole
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound