| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:06 UTC |
|---|
| Update Date | 2025-03-25 00:45:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151375 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H7N3O4 |
|---|
| Molecular Mass | 185.0437 |
|---|
| SMILES | Cn1c(CC(=O)O)cnc1[N+](=O)[O-] |
|---|
| InChI Key | FPKOVZSGQUINIM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azoles |
|---|
| Subclass | imidazoles |
|---|
| Direct Parent | 1,2,5-trisubstituted imidazoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumn-substituted imidazolenitroaromatic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compound1,2,5-trisubstituted-imidazolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
|---|
