| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:18:13 UTC |
|---|
| Update Date | 2025-03-21 20:52:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00385930 |
|---|
| Frequency | 4.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5NO2+ |
|---|
| Molecular Mass | 123.0315 |
|---|
| SMILES | O=C(O)C1=[N+]C=CC=C1 |
|---|
| InChI Key | QVAMBFUSFRUJCX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | imines |
|---|
| Direct Parent | ketimines |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compounds |
|---|
| Substituents | ketiminecarbonyl groupcarboxylic acidazacyclecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic cationorganoheterocyclic compoundorganooxygen compound |
|---|
