| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:57 UTC |
|---|
| Update Date | 2025-03-25 00:49:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02176103 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10ClNO3S |
|---|
| Molecular Mass | 235.007 |
|---|
| SMILES | NCCc1ccc(OS(=O)O)c(Cl)c1 |
|---|
| InChI Key | FLOQJASJUWNWFF-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 | aryl chlorideschlorobenzeneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aryl chloridechlorobenzeneorganochlorideorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
|---|
