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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:35 UTC
Update Date2025-03-25 00:48:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166089
Frequency0.5
Structure
Chemical FormulaC22H25N3O5
Molecular Mass411.1794
SMILESCC1OC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C1N
InChI KeyITSFILJCWQSSIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass depsipeptides
Direct Parent cyclic depsipeptides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alpha amino acid esters
  • alpha amino acids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactams
  • lactones
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • cyclic depsipeptide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • alpha-amino acid ester
  • azacycle
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound