| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:17 UTC |
|---|
| Update Date | 2025-03-21 17:59:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018189 |
|---|
| Frequency | 228.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO5S |
|---|
| Molecular Mass | 243.0201 |
|---|
| SMILES | COc1ccc2[nH]cc(OS(=O)(=O)O)c2c1 |
|---|
| InChI Key | NTJFWULFKCXUHS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | arylsulfates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
|---|
| Substituents | phenol ethersulfuric acid monoesteretherindolealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic oxygen compoundanisolepyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
