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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:09 UTC
Update Date2025-03-25 00:47:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162785
Frequency0.5
Structure
Chemical FormulaC12H18N2O3
Molecular Mass238.1317
SMILESO=C(NCCCN1CCOCC1)c1ccco1
InChI KeyYJYLLILLQMITKL-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
  • amino acids and derivatives
  • azacyclic compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • morpholines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • ether
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • dialkyl ether
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • furoic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • carboxamide group
  • oxazinane
  • oxacycle
  • secondary carboxylic acid amide
  • morpholine
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound