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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:01 UTC
Update Date2025-03-25 00:57:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224489
Frequency0.5
Structure
Chemical FormulaC13H18N2O3
Molecular Mass250.1317
SMILESO=C(NCCCCN1CCCC1=O)c1ccco1
InChI KeyZYFFGGVKWADFPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furoic acid and derivatives
Direct Parent furoic acid and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • furoic acid or derivatives
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound