| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:26 UTC |
|---|
| Update Date | 2025-03-25 00:54:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02209153 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H36O9 |
|---|
| Molecular Mass | 444.2359 |
|---|
| SMILES | CC12CCC(O)C(O)(C(=O)O)C1CC(O)C1C2C(O)CC2(C)C1CCC2(O)C(O)CO |
|---|
| InChI Key | WNZJVGFONIDBHC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | steroids and steroid derivatives |
|---|
| Subclass | pregnane steroids |
|---|
| Direct Parent | gluco/mineralocorticoids, progestogins and derivatives |
|---|
| Geometric Descriptor | aliphatic homopolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxysteroids11-hydroxysteroids14-hydroxysteroids17-hydroxysteroids21-hydroxysteroids3-hydroxysteroids6-hydroxysteroids7-hydroxysteroidsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcoholstertiary alcohols |
|---|
| Substituents | 20-hydroxysteroidcarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativealiphatic homopolycyclic compound4-hydroxysteroidbeta-hydroxy acidorganic oxide21-hydroxysteroidprimary alcoholprogestogin-skeleton17-hydroxysteroidalcohol3-hydroxysteroidhydroxysteroidhydroxy acidcyclic alcohol7-hydroxysteroid14-hydroxysteroidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcohol1-hydroxysteroidhydrocarbon derivative11-hydroxysteroid6-hydroxysteroid15-hydroxysteroidorganooxygen compound |
|---|
