| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:30 UTC |
|---|
| Update Date | 2025-03-21 17:59:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00023122 |
|---|
| Frequency | 170.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H44O12 |
|---|
| Molecular Mass | 560.2833 |
|---|
| SMILES | CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CC(O)C1C2C(O)CC2(C)C1CCC2(O)C(O)CO |
|---|
| InChI Key | XEGVJWMJPKTOKO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | steroids and steroid derivatives |
|---|
| Subclass | steroidal glycosides |
|---|
| Direct Parent | steroid glucuronide conjugates |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | 11-hydroxysteroids17-hydroxysteroids21-hydroxysteroids7-hydroxysteroidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespregnane steroidsprimary alcoholspyran carboxylic acidssecondary alcoholstertiary alcohols |
|---|
| Substituents | 20-hydroxysteroidcarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetal21-hydroxysteroidoxaneprimary alcoholorganoheterocyclic compound17-hydroxysteroidalcoholpyran carboxylic acid or derivativeshydroxysteroidhydroxy acidcyclic alcohol7-hydroxysteroidoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivative11-hydroxysteroidpregnane-skeletonorganooxygen compound |
|---|
