| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:03 UTC |
|---|
| Update Date | 2025-03-21 18:36:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00110455 |
|---|
| Frequency | 24.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7NO5 |
|---|
| Molecular Mass | 197.0324 |
|---|
| SMILES | O=C(O)C(O)c1cccc([N+](=O)[O-])c1 |
|---|
| InChI Key | KNSULVUQBMUBCX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | nitrobenzenes |
|---|
| Direct Parent | nitrobenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundalcoholorganic 1,3-dipolar compoundhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
|---|
