| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:46 UTC |
|---|
| Update Date | 2025-03-25 00:52:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02193821 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H14NO7PS |
|---|
| Molecular Mass | 383.0229 |
|---|
| SMILES | CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)Oc1cccc(C(=O)O)c1 |
|---|
| InChI Key | CWNFLMRYCZWJMM-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 | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundsthiophosphate triesters |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidallyl-type 1,3-dipolar organic compoundbenzoylcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumbenzoic acidnitrobenzenenitroaromatic compoundbenzoic acid or derivativesorganic 1,3-dipolar compoundphenyl thiophosphatearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidthiophosphate triesterorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
|---|
