| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:13 UTC |
|---|
| Update Date | 2025-03-21 18:06:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00062679 |
|---|
| Frequency | 49.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H13NO5S |
|---|
| Molecular Mass | 235.0514 |
|---|
| SMILES | NCCc1ccc(O)c(O[SH](=O)(O)O)c1 |
|---|
| InChI Key | GTBWSXBVHKXQER-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenoxy compounds |
|---|
| Direct Parent | phenoxy compounds |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | 1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
