| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:53 UTC |
|---|
| Update Date | 2025-03-25 00:59:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02235366 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7NO2+ |
|---|
| Molecular Mass | 137.0471 |
|---|
| SMILES | COC(=O)C1=CC=C[N+]=C1 |
|---|
| InChI Key | RIJXONYIJFTYCI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | enoate esters |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundshydrocarbon derivativesiminesmethyl estersmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compounds |
|---|
| Substituents | enoate estercarbonyl groupazacycleimineorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
|---|
