| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:53 UTC |
|---|
| Update Date | 2025-03-21 18:30:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00081136 |
|---|
| Frequency | 35.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O5S |
|---|
| Molecular Mass | 244.0405 |
|---|
| SMILES | COc1ccc(C=CS(=O)(=O)O)cc1OC |
|---|
| InChI Key | RPEPBBZSZBZTCE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | methoxybenzenes |
|---|
| Direct Parent | dimethoxybenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisoleshydrocarbon derivativesorganic oxidesorganosulfonic acidsphenoxy compoundssulfonyls |
|---|
| Substituents | phenol etherorganosulfonic acid or derivativesetherorganosulfonic acidalkyl aryl etherorganosulfur compoundaromatic homomonocyclic compounddimethoxybenzeneorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisoleo-dimethoxybenzenehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
