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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:31 UTC
Update Date2025-03-25 00:47:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163600
Frequency0.5
Structure
Chemical FormulaC28H40O5
Molecular Mass456.2876
SMILESCC12CCC(OC(=O)c3ccccc3)CC1CCC1C2CCC2(C)C1CCC2(O)C(O)CO
InChI KeyMOMSHUDXBKXVLF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass hydroxysteroids
Direct Parent 21-hydroxysteroids
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 17-hydroxysteroids
  • benzoic acid esters
  • benzoyl derivatives
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • pregnane steroids
  • primary alcohols
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • monocyclic benzene moiety
  • benzoyl
  • benzoate ester
  • carboxylic acid derivative
  • organic oxide
  • 21-hydroxysteroid
  • primary alcohol
  • 17-hydroxysteroid
  • alcohol
  • benzoic acid or derivatives
  • aromatic homopolycyclic compound
  • cyclic alcohol
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • pregnane-skeleton
  • organooxygen compound