| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:24 UTC |
|---|
| Update Date | 2025-03-21 18:05:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00056008 |
|---|
| Frequency | 57.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5NO2 |
|---|
| Molecular Mass | 123.032 |
|---|
| SMILES | O=Cc1ccc[n+]([O-])c1 |
|---|
| InChI Key | LNYJHQOHEHEMOO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridine carboxaldehydesvinylogous amides |
|---|
| Substituents | pyridine carboxylic acid or derivativesvinylogous amide3-pyridine carboxaldehydearomatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
