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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:10 UTC
Update Date2025-03-25 00:51:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188016
Frequency0.5
Structure
Chemical FormulaC18H26N2O12
Molecular Mass462.1486
SMILESCC(=O)Nc1c(OC2OC(CO)C(O)C(O)C2O)ccn(C2OC(CO)C(O)C2O)c1=O
InChI KeyBFMINGAHZWTNHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • methylpyridines
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • polyhalopyridines
  • primary alcohols
  • pyridinones
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous esters
  • Substituents
  • carbonyl group
  • lactam
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • azacycle
  • vinylogous ester
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • pyridinone
  • organooxygen compound