| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:37:19 UTC |
|---|
| Update Date | 2025-03-21 17:57:38 UTC |
|---|
| HMDB ID | HMDB0034782 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009219 |
|---|
| Name | Benzyl sulfate |
|---|
| Frequency | 525.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O4S |
|---|
| Molecular Mass | 188.0143 |
|---|
| SMILES | O=S(=O)(O)OCc1ccccc1 |
|---|
| InChI Key | CZNJCCVKDVCRKF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
|---|
