| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:37 UTC |
|---|
| Update Date | 2025-03-25 01:00:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02241515 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C29H48O3 |
|---|
| Molecular Mass | 444.3603 |
|---|
| SMILES | CC(COC(=O)C(C)(C)C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3 |
|---|
| InChI Key | AOZUZSLQXZVXHC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | steroids and steroid derivatives |
|---|
| Subclass | bile acids, alcohols and derivatives |
|---|
| Direct Parent | bile acids, alcohols and derivatives |
|---|
| Geometric Descriptor | aliphatic homopolycyclic compounds |
|---|
| Alternative Parents | 3-hydroxysteroidscarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativesditerpenoidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssteroid esters |
|---|
| Substituents | alcoholcarbonyl groupabietane diterpenoid3-hydroxysteroidhydroxysteroidcyclic alcoholcarboxylic acid derivativebile acid, alcohol, or derivativessteroid esteraliphatic homopolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativediterpenoidorganooxygen compound |
|---|