| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:41 UTC |
|---|
| Update Date | 2025-03-21 18:32:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00092429 |
|---|
| Frequency | 30.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O9S |
|---|
| Molecular Mass | 270.0046 |
|---|
| SMILES | COS(=O)(=O)OC1=C(O)C(=O)OC1C(O)CO |
|---|
| InChI Key | NEEGKYMHCZIBRU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | sulfuric acid esters |
|---|
| Direct Parent | sulfuric acid diesters |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalkyl sulfatesbutenolidescarbonyl compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | carbonyl groupmonosaccharidecarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxidesulfuric acid diesteralkyl sulfatealiphatic heteromonocyclic compoundprimary alcoholorganoheterocyclic compound1,2-dioldihydrofuranenoate esteralcoholoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
