| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:17 UTC |
|---|
| Update Date | 2025-03-21 18:05:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00055730 |
|---|
| Frequency | 57.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H13F3N2O2 |
|---|
| Molecular Mass | 346.0929 |
|---|
| SMILES | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(=O)O)cc2)cc1 |
|---|
| InChI Key | JVZVBRMVZDKFTG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azoles |
|---|
| Subclass | pyrazoles |
|---|
| Direct Parent | phenylpyrazoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstoluenes |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganohalogen compoundphenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzoic acidazacyclealkyl fluorideorganofluorideheteroaromatic compoundbenzoic acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
|---|
