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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:04 UTC
Update Date2025-03-21 18:35:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105569
Frequency25.6
Structure
Chemical FormulaC22H35NO6
Molecular Mass409.2464
SMILESCC12CCC(O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)NCC(=O)O
InChI KeyXVPBWOJXNNHIPQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass androstane steroids
Direct Parent androgens and derivatives
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 11-hydroxysteroids
  • 17-hydroxysteroids
  • 3-hydroxysteroids
  • acyl glycines
  • alkaloids and derivatives
  • alpha amino acids
  • azasteroids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pregnane-type alkaloids
  • secondary alcohols
  • secondary carboxylic acid amides
  • tertiary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • androgen-skeleton
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • pregnane-type alkaloid
  • aliphatic homopolycyclic compound
  • organic oxide
  • azasteroid
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 17-hydroxysteroid
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • n-acyl-alpha-amino acid
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • carboxamide group
  • steroidal alkaloid
  • n-acylglycine
  • secondary carboxylic acid amide
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • alkaloid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organic nitrogen compound
  • organooxygen compound