| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 04:02:19 UTC |
|---|
| Update Date | 2025-03-21 23:05:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00632689 |
|---|
| Frequency | 2.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H5N2O2+ |
|---|
| Molecular Mass | 125.0346 |
|---|
| SMILES | O=[N+](O)c1cccnc1 |
|---|
| InChI Key | WFAYBTMNQABUDP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic 1,3-dipolar compounds |
|---|
| Class | allyl-type 1,3-dipolar organic compounds |
|---|
| Subclass | organic nitro compounds |
|---|
| Direct Parent | nitroaromatic compounds |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyridines and derivatives |
|---|
| Substituents | nitroaromatic compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganoheterocyclic compoundorganic hyponitrite |
|---|
