| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:21 UTC |
|---|
| Update Date | 2025-03-21 18:41:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00132606 |
|---|
| Frequency | 19.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C25H40O7 |
|---|
| Molecular Mass | 452.2774 |
|---|
| SMILES | CC12CCCC1C1CCC3CC(OC4OC(C(=O)O)C(O)C(O)C4O)CCC3(C)C1CC2 |
|---|
| InChI Key | MXCOADIWNVONFV-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 | acetalsandrostane steroidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundandrostane-skeletonpyransecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivativeorganooxygen compound |
|---|
