| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:34 UTC |
|---|
| Update Date | 2025-03-21 18:40:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00130800 |
|---|
| Frequency | 19.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO6S |
|---|
| Molecular Mass | 263.0464 |
|---|
| SMILES | COc1cc(C(CO)OS(N)(=O)=O)ccc1O |
|---|
| InChI Key | UFKOTBHCHIBVSP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativesphenoxy compoundsprimary alcohols |
|---|
| Substituents | alcoholphenol ethermonocyclic benzene moietyetherorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundprimary alcoholorganooxygen compound |
|---|
