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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:20 UTC
Update Date2025-03-25 00:58:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231771
Frequency0.5
Structure
Chemical FormulaC27H44O9
Molecular Mass512.2985
SMILESCC12CC(O)C3C(CCC4C(C)(C)C(OC5OC(C(O)O)C(O)C(O)C5O)CCC34C)C1CCC2=O
InChI KeySJBOUULDUJXVLX-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
  • carbonyl hydrates
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carbonyl hydrate
  • steroidal glycoside
  • monosaccharide
  • ketone
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • oxosteroid
  • hydroxysteroid
  • cyclic alcohol
  • oxacycle
  • organic oxygen compound
  • androstane-skeleton
  • secondary alcohol
  • 17-oxosteroid
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound