Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:35 UTC
Update Date2025-03-25 01:00:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246175
Frequency0.5
Structure
Chemical FormulaC19H26O4
Molecular Mass318.1831
SMILESCC12CCC3C4CCC(=O)C=C4CCC3C1CCC2(O)C(=O)O
InChI KeyCGEWLVBEAZXNFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass hydroxysteroids
Direct Parent 17-hydroxysteroids
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 3-oxo delta-4-steroids
  • alpha hydroxy acids and derivatives
  • carboxylic acids
  • cyclic alcohols and derivatives
  • cyclohexenones
  • delta-4-steroids
  • estrogens and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • cyclohexenone
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • cyclic ketone
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • ketone
  • organic oxide
  • 17-hydroxysteroid
  • estrogen-skeleton
  • alcohol
  • oxosteroid
  • delta-4-steroid
  • estrane-skeleton
  • 3-oxo-delta-4-steroid
  • hydroxy acid
  • cyclic alcohol
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 3-oxosteroid
  • hydrocarbon derivative
  • organooxygen compound