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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:56 UTC
Update Date2025-03-25 00:51:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185161
Frequency0.5
Structure
Chemical FormulaC14H17N3O4
Molecular Mass291.1219
SMILESNC(=O)CCC1NC(=O)C(Cc2ccccc2O)NC1=O
InChI KeyYAKAXWAXVSZGDO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2,5-dioxopiperazines
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • secondary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • fatty amide
  • 1-hydroxy-2-unsubstituted benzenoid
  • 2,5-dioxopiperazine
  • organic oxide
  • dioxopiperazine
  • piperazine
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • 1,4-diazinane
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound