| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:52 UTC |
|---|
| Update Date | 2025-03-25 00:54:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02205501 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12FN3O |
|---|
| Molecular Mass | 233.0964 |
|---|
| SMILES | NCc1[nH]cc(-c2ccc(F)cc2)c1C(N)=O |
|---|
| InChI Key | MZMCJXZAKNCEPP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrroles |
|---|
| Subclass | pyrrole carboxylic acids and derivatives |
|---|
| Direct Parent | pyrrole carboxamides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl fluoridesazacyclic compoundscarboxylic acids and derivativesfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | aryl fluorideprimary carboxylic acid amidemonocyclic benzene moietyaromatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundvinylogous amideazacycleorganofluorideheteroaromatic compoundcarboxamide grouparyl halideorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
