| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:39 UTC |
|---|
| Update Date | 2025-03-25 01:01:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02248596 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10N2O6 |
|---|
| Molecular Mass | 254.0539 |
|---|
| SMILES | NC(=O)C(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O |
|---|
| InChI Key | JLYPJTWCSNMVAY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoidscarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidallyl-type 1,3-dipolar organic compoundfatty amide1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundcarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundorganic hyponitrite |
|---|
