| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:43 UTC |
|---|
| Update Date | 2025-03-25 00:53:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202870 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O8S |
|---|
| Molecular Mass | 304.0253 |
|---|
| SMILES | O=C1CCOC1Cc1cc(O)c(O)c(OS(=O)(=O)O)c1 |
|---|
| InChI Key | NFZLSJKZSHVXMY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscyclic ketonesdialkyl ethersfuranoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesterstetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcyclic ketonedialkyl etherketonephenylsulfateorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid ester3-furanoneorganooxygen compound |
|---|
