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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:41 UTC
Update Date2025-03-25 00:49:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175456
Frequency0.5
Structure
Chemical FormulaC13H23NO8
Molecular Mass321.1424
SMILESCC(=O)NC1C(O)CC(O)CC1C(O)C(O)C(O)C(O)C=O
InChI KeyLZSQCLDWKIBPPF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids and derivatives
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • beta-hydroxy aldehyde
  • carbonyl group
  • cyclohexanol
  • monosaccharide
  • aldehyde
  • cyclic alcohol
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide