| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:29 UTC |
|---|
| Update Date | 2025-03-21 18:35:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00104173 |
|---|
| Frequency | 26.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8N2O2 |
|---|
| Molecular Mass | 140.0586 |
|---|
| SMILES | NCc1ccc(C(=O)O)[nH]1 |
|---|
| InChI Key | MLKBXEMBGLQJDE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrroles |
|---|
| Subclass | pyrrole carboxylic acids and derivatives |
|---|
| Direct Parent | pyrrole 2-carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivatives |
|---|
| Substituents | carboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
