Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:59 UTC
Update Date2025-03-25 01:00:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244721
Frequency0.5
Structure
Chemical FormulaC23H32N2O5
Molecular Mass416.2311
SMILESCCCCCC(=O)C(=O)c1[nH]c(CC2NC(=O)C(C)=C2CC)c(C)c1CCC(=O)O
InChI KeyFUEIQVICDJNGFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl ketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha-diketones
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
  • Substituents
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • alpha-diketone
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • pyrroline
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • aryl ketone