| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:38 UTC |
|---|
| Update Date | 2025-03-21 17:57:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00007602 |
|---|
| Frequency | 660.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H7NO6 |
|---|
| Molecular Mass | 225.0273 |
|---|
| SMILES | O=C(O)C(=O)Cc1ccc(O)c([N+](=O)[O-])c1 |
|---|
| InChI Key | YNIUOZZLUSMHES-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpyruvic acid derivatives |
|---|
| Direct Parent | phenylpyruvic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | carbonyl groupcarboxylic acid3-phenylpropanoic-acidallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidec-nitro compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganic oxoazaniumnitrophenolnitrobenzenenitroaromatic compoundphenylpyruvateorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
|---|
