| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:31 UTC |
|---|
| Update Date | 2025-03-21 17:59:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018708 |
|---|
| Frequency | 220.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO3 |
|---|
| Molecular Mass | 179.0582 |
|---|
| SMILES | COC(=O)c1ccccc1C(N)=O |
|---|
| InChI Key | ZZOHVJNFBQBFNG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzamidesbenzoyl derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidebenzoylbenzoate estercarboxamide groupcarboxylic acid derivativebenzamidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
