| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:28 UTC |
|---|
| Update Date | 2025-03-25 00:54:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02209238 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16O7S |
|---|
| Molecular Mass | 268.0617 |
|---|
| SMILES | CC1(C)CC2(COS(=O)(=O)O)OCC(O1)C2O |
|---|
| InChI Key | FBWRWMZWFMQRJL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dioxepanes |
|---|
| Subclass | 1,4-dioxepanes |
|---|
| Direct Parent | 1,4-dioxepanes |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl sulfatesdialkyl ethershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesterstetrahydrofurans |
|---|
| Substituents | alcoholsulfuric acid monoesteretherorganic sulfuric acid or derivativestetrahydrofuran1,4-dioxepanemonosaccharidedialkyl etheraliphatic heteropolycyclic compoundoxacyclesaccharideorganic oxideorganic oxygen compoundalkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativeoxanesulfuric acid esterorganooxygen compound |
|---|
