| 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 | DMID00632701 |
|---|
| Frequency | 2.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C3H3NO4 |
|---|
| Molecular Mass | 117.0062 |
|---|
| SMILES | CC(=O)C(=O)[N+](=O)[O-] |
|---|
| InChI Key | BJUQETPALFFHKN-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 | c-nitro compounds |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
|---|
