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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:31 UTC
Update Date2025-03-25 00:55:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211798
Frequency0.5
Structure
Chemical FormulaC24H41NO20
Molecular Mass663.2222
SMILESCC(=O)NC1C(OC2C(O)C(CO)OC(OC(C(O)C=O)C(O)CO)C2O)OOC(CO)C1OC1OC(CO)C(O)C(O)C1O
InChI KeyDEAUQNNZCLALGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,2-dioxanes
Direct Parent 1,2-dioxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alpha-hydroxyaldehydes
  • carboxylic acids and derivatives
  • dialkyl peroxides
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • dialkyl peroxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • acetamide
  • alcohol
  • aldehyde
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • ortho-dioxane
  • organooxygen compound