| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:57 UTC |
|---|
| Update Date | 2025-03-25 00:46:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153392 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9ClO6S |
|---|
| Molecular Mass | 267.9808 |
|---|
| SMILES | COc1ccc(OC)c(OS(=O)(=O)O)c1Cl |
|---|
| InChI Key | SBMSPPJWGYMWMV-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 homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesaryl chlorideschlorobenzenesdimethoxybenzeneshydrocarbon derivativesorganic oxidesorganochloridesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretherorganochloridep-dimethoxybenzenealkyl aryl etherorganohalogen compounddimethoxybenzenephenylsulfateorganic oxidearyl chloridechlorobenzenemethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
