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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:21 UTC
Update Date2025-03-25 00:58:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231813
Frequency0.5
Structure
Chemical FormulaC25H40O11S
Molecular Mass548.2291
SMILESCC12CCC3C(C(O)CC4CC(OC5OC(COS(=O)(=O)O)C(O)C(O)C5O)CCC43C)C1CCC2=O
InChI KeyLYOZFMBYKFFFHG-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
  • 17-oxosteroids
  • 7-hydroxysteroids
  • acetals
  • alkyl sulfates
  • androstane steroids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • steroidal glycoside
  • monosaccharide
  • ketone
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • oxane
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • oxosteroid
  • hydroxysteroid
  • cyclic alcohol
  • 7-hydroxysteroid
  • oxacycle
  • organic oxygen compound
  • androstane-skeleton
  • secondary alcohol
  • sulfate-ester
  • 17-oxosteroid
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound