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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:02 UTC
Update Date2025-03-25 00:49:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176301
Frequency0.5
Structure
Chemical FormulaC26H42O10
Molecular Mass514.2778
SMILESCC12CCC(CCC3C1C(O)CC1(C)C3CCC1(O)C(=O)O)CC2OC1OC(CO)C(O)C(O)C1O
InChI KeyQAKWPGCPSZFPEN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • hydroxy acid
  • cyclic alcohol
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound