| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:33:44 UTC |
|---|
| Update Date | 2025-03-21 18:45:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00142683 |
|---|
| Frequency | 17.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H7NO2 |
|---|
| Molecular Mass | 125.0477 |
|---|
| SMILES | COC(=O)c1cc[nH]c1 |
|---|
| InChI Key | WLBNVSIQCFHAQB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrroles |
|---|
| Subclass | pyrrole carboxylic acids and derivatives |
|---|
| Direct Parent | pyrrole carboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
|---|
| Substituents | vinylogous amidearomatic heteromonocyclic compoundazacyclepyrrole-3-carboxylic acid or derivativesheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
