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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:39 UTC
Update Date2025-03-25 00:48:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166270
Frequency0.5
Structure
Chemical FormulaC27H42O6
Molecular Mass462.2981
SMILESCC1CC(OC2CCC3(C)C(CCC4C5CCC(=O)C5(C)CC(O)C43)C2)OC(C(=O)O)C1C
InChI KeyALTUTBOIRWKMMZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass androstane steroids
Direct Parent androstane steroids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 11-hydroxysteroids
  • 17-oxosteroids
  • acetals
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • pyran carboxylic acid
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • oxosteroid
  • hydroxysteroid
  • cyclic alcohol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • androstane-skeleton
  • pyran
  • secondary alcohol
  • 17-oxosteroid
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound