| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:59 UTC |
|---|
| Update Date | 2025-03-21 18:03:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00045737 |
|---|
| Frequency | 73.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O8S |
|---|
| Molecular Mass | 275.994 |
|---|
| SMILES | O=C1Cc2c(O)cc(O)cc2OC1OS(=O)(=O)O |
|---|
| InChI Key | CMMXRIRLGBXZOF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 1-benzopyrans |
|---|
| Direct Parent | 1-benzopyrans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzenoidscyclic ketoneshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-benzopyran1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatesulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
|---|
