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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:36 UTC
Update Date2025-03-25 01:00:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241475
Frequency0.5
Structure
Chemical FormulaC17H29NO13
Molecular Mass455.1639
SMILESCC(O)=NC1C(O)C(O)C(OC(C(O)CO)C(O)C(O)C=O)C(O)C1OC(C)C(=O)O
InChI KeyPCUDFMSXPBCRON-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
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboximidic acids
  • carboxylic acids
  • cyclitols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboximidic acid
  • beta-hydroxy aldehyde
  • carbonyl group
  • ether
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • propargyl-type 1,3-dipolar organic compound
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • cyclohexanol
  • aldehyde
  • cyclitol or derivatives
  • organic 1,3-dipolar compound
  • cyclic alcohol
  • monocarboxylic acid or derivatives
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organic nitrogen compound