| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:29 UTC |
|---|
| Update Date | 2025-03-25 00:45:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02149904 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12Cl2NO3PS |
|---|
| Molecular Mass | 338.9653 |
|---|
| SMILES | CCOP(=S)(OCC)Oc1ccc(C#N)c(Cl)c1Cl |
|---|
| InChI Key | RELRVOPSVRNDAZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic thiophosphoric acids and derivatives |
|---|
| Subclass | thiophosphoric acid esters |
|---|
| Direct Parent | phenyl thiophosphates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesbenzonitrilesdichlorobenzeneshydrocarbon derivativesnitrilesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsthiophosphate triesters |
|---|
| Substituents | monocyclic benzene moietynitrileorganochlorideorganohalogen compoundorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzenecarbonitrilearyl chloridechlorobenzenephenyl thiophosphatebenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativebenzenoidthiophosphate triesterorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
|---|
