| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 03:58:21 UTC |
|---|
| Update Date | 2025-03-21 23:01:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00623405 |
|---|
| Frequency | 2.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H4NO3+ |
|---|
| Molecular Mass | 114.0186 |
|---|
| SMILES | O=C(O)c1cc[o+][nH]1 |
|---|
| InChI Key | XSGJZYLMXWGONJ-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azoles |
|---|
| Subclass | isoxazoles |
|---|
| Direct Parent | isoxazoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | carboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazolecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
|---|
