| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:30 UTC |
|---|
| Update Date | 2025-03-21 18:41:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00132952 |
|---|
| Frequency | 19.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O5S |
|---|
| Molecular Mass | 204.0092 |
|---|
| SMILES | COc1ccc(S(=O)(=O)O)cc1O |
|---|
| InChI Key | PFXZMBNHLUZPPW-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 benzenoids1-hydroxy-4-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersanisolesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfonic acidsphenoxy compoundssulfonyls |
|---|
| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetherorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolbenzenesulfonatealkyl aryl etherorganosulfur compoundorganic oxidebenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
