| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:38 UTC |
|---|
| Update Date | 2025-03-21 18:38:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00119166 |
|---|
| Frequency | 21.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14NO7PS |
|---|
| Molecular Mass | 335.0229 |
|---|
| SMILES | CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C(=O)O |
|---|
| InChI Key | OWXSSZUWBGOIST-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundsthiophosphate triesters |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundphenyl thiophosphatearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidthiophosphate triesterorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
|---|
