| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:54 UTC |
|---|
| Update Date | 2025-03-25 00:53:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02198733 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O14S2 |
|---|
| Molecular Mass | 459.9981 |
|---|
| SMILES | O=C(OC1OC(COS(=O)(=O)O)C(O)C(O)C1O)c1ccccc1OS(=O)(=O)O |
|---|
| InChI Key | QPWWOLFJALPCHD-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 | acetalsalkyl sulfatesbenzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compoundbenzoylmonosaccharidebenzoate estercarboxylic acid derivativephenylsulfatesaccharideorganic oxideacetalalkyl sulfateoxaneorganoheterocyclic compoundalcoholbenzoic acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
