| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:23 UTC |
|---|
| Update Date | 2025-03-21 18:33:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00094130 |
|---|
| Frequency | 29.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H15NO5S |
|---|
| Molecular Mass | 261.0671 |
|---|
| SMILES | CNCC(O)c1ccc(OS(C)(=O)=O)c(O)c1 |
|---|
| InChI Key | YVYMOBCYIYLAIS-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsdialkylamineshydrocarbon derivativesmethanesulfonatesorganic oxidesorganopnictogen compoundsorganosulfonic acid esterssecondary alcoholssulfonic acid esterssulfonyls |
|---|
| Substituents | aromatic alcoholorganosulfonic acid or derivatives1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundsulfonic acid esterorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary amineorganosulfonic acid esteraromatic homomonocyclic compoundmethanesulfonatesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
|---|
