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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:08 UTC
Update Date2025-03-25 00:50:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183364
Frequency0.5
Structure
Chemical FormulaC13H21NO7
Molecular Mass303.1318
SMILESO=C1C(OC2OC(CO)C(O)C(O)C2O)CC2CCCN12
InChI KeyYGTANULUPOCXFM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolizidines
Subclass pyrrolizidinones
Direct Parent pyrrolizidinones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • monosaccharides
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyrrolidine-2-ones
  • secondary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • monosaccharide
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • acetal
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • pyrrolidine
  • primary alcohol
  • pyrrolidone
  • alcohol
  • pyrrolizidinone
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound