| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:45 UTC |
|---|
| Update Date | 2025-03-25 01:01:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02248807 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H13NO5S |
|---|
| Molecular Mass | 295.0514 |
|---|
| SMILES | COc1ccc(C(OS(=O)(=O)O)c2cccnc2)cc1 |
|---|
| InChI Key | KBQFHLJTHYZQBL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalkyl sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethoxybenzenesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesteretheraromatic heteromonocyclic compoundalkyl aryl etherorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemethoxybenzenepyridineorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
