| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:59 UTC |
|---|
| Update Date | 2025-03-25 00:46:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157967 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7ClO5S |
|---|
| Molecular Mass | 249.9703 |
|---|
| SMILES | O=C(O)Cc1ccc(OS(=O)O)c(Cl)c1 |
|---|
| InChI Key | UGUFIHHOGYHQTB-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 chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
|---|
| Substituents | aryl chloridechlorobenzenecarbonyl groupcarboxylic acidorganochloridecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
