| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:39 UTC |
|---|
| Update Date | 2025-03-25 00:54:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02205050 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O11S |
|---|
| Molecular Mass | 368.0413 |
|---|
| SMILES | O=S(=O)(O)Oc1c(O)cccc1OC1OC(CO)C(O)C(O)C1O |
|---|
| InChI Key | NBZPFUXJAOZNKQ-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 benzenoidsacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidephenylsulfatesaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
