| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:38 UTC |
|---|
| Update Date | 2025-03-21 18:39:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00126159 |
|---|
| Frequency | 20.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8N2O5 |
|---|
| Molecular Mass | 224.0433 |
|---|
| SMILES | CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O |
|---|
| InChI Key | QKTQWLSLKHKTST-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | acylaminobenzoic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetamidesacetanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesnitroaromatic compoundsnitrobenzenesnitrobenzoic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | carbonyl groupcarboxylic acidn-acetylarylamineallyl-type 1,3-dipolar organic compoundbenzoyln-arylamidecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic oxoazaniumbenzoic acidacetamidenitrobenzenenitroaromatic compoundvinylogous amideacylaminobenzoic acid or derivativesacetanilideorganic 1,3-dipolar compoundcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundnitrobenzoateorganooxygen compoundorganic hyponitrite |
|---|
