| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:32 UTC |
|---|
| Update Date | 2025-03-21 18:03:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047070 |
|---|
| Frequency | 70.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H6F2O3 |
|---|
| Molecular Mass | 188.0285 |
|---|
| SMILES | O=C(O)c1ccccc1OC(F)F |
|---|
| InChI Key | AGDOJFCUKQMLHD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl fluoridesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compoundsphenol ethersphenoxy compounds |
|---|
| Substituents | phenol ethercarboxylic acidalkyl fluorideorganofluoridebenzoylcarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundorganooxygen compound |
|---|
