| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:34:23 UTC |
|---|
| Update Date | 2025-03-21 17:56:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002346 |
|---|
| Frequency | 2602.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H5NO5 |
|---|
| Molecular Mass | 183.0168 |
|---|
| SMILES | O=C(O)c1ccc(O)c([N+](=O)[O-])c1 |
|---|
| InChI Key | QRYSWXFQLFLJTC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | nitrobenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | carboxylic acidallyl-type 1,3-dipolar organic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumbenzoic acidnitrophenolnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundhydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundnitrobenzoateorganooxygen compoundorganic hyponitrite |
|---|
