| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:47 UTC |
|---|
| Update Date | 2025-03-21 18:35:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00107381 |
|---|
| Frequency | 25.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10N2O6 |
|---|
| Molecular Mass | 254.0539 |
|---|
| SMILES | NC(CC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O |
|---|
| InChI Key | XCXLHKBTJBOIKX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneallyl-type 1,3-dipolar organic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumnitrophenolnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketoneorganic hyponitrite |
|---|
