| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:20 UTC |
|---|
| Update Date | 2025-03-25 01:01:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250180 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H5FO4 |
|---|
| Molecular Mass | 184.0172 |
|---|
| SMILES | O=C(O)c1cccc(C(=O)O)c1F |
|---|
| InChI Key | DWOLBEJAJWCIGK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-phthalic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acidsaryl fluoridesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativesfluorobenzeneshalobenzoic acidshydrocarbon derivativesorganic oxidesorganofluoridesorganooxygen compoundsvinylogous halides |
|---|
| Substituents | aryl fluoride2-halobenzoic acidcarboxylic acidbenzoylcarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxidemeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidhalobenzoic acidorganofluoridehalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehalobenzeneorganooxygen compound |
|---|
