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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:32 UTC
Update Date2025-03-25 00:47:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163640
Frequency0.5
Structure
Chemical FormulaC25H40O10S
Molecular Mass532.2342
SMILESCC12CC(O)C3C(CCC4CC(OC5OC(CS(=O)(=O)O)C(O)C(O)C5O)CCC43C)C1CCC2=O
InChI KeyJLOHRBPERSBXPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass steroidal glycosides
Direct Parent steroidal glycosides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 11-hydroxysteroids
  • 17-oxosteroids
  • acetals
  • androstane steroids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • monosaccharides
  • organic oxides
  • organosulfonic acids
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • steroidal glycoside
  • organosulfonic acid
  • monosaccharide
  • organosulfur compound
  • ketone
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • oxosteroid
  • hydroxysteroid
  • cyclic alcohol
  • oxacycle
  • sulfonyl
  • organic oxygen compound
  • androstane-skeleton
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • 17-oxosteroid
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound