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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:52 UTC
Update Date2025-03-25 00:50:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182758
Frequency0.5
Structure
Chemical FormulaC12H21NO9
Molecular Mass323.1216
SMILESO=CC(O)CC(NC1OC(CO)C(O)C(O)C1O)C(O)C=O
InChI KeyMLRVEYDAUPFDPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydroxyaldehydes
  • dialkylamines
  • hemiaminals
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • carbonyl group
  • monosaccharide
  • aldehyde
  • secondary amine
  • hemiaminal
  • oxacycle
  • organic oxide
  • alpha-hydroxyaldehyde
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • amine