| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:57 UTC |
|---|
| Update Date | 2025-03-21 18:28:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00071607 |
|---|
| Frequency | 41.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H7F3O3 |
|---|
| Molecular Mass | 220.0347 |
|---|
| SMILES | O=C(O)Cc1ccc(OC(F)(F)F)cc1 |
|---|
| InChI Key | ZMTIBXQPXBUWPQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | phenol ethers |
|---|
| Direct Parent | phenol ethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl fluoridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesphenoxy compoundstrihalomethanes |
|---|
| Substituents | halomethanephenol ethermonocyclic benzene moietycarbonyl grouptrihalomethanecarboxylic acidalkyl fluorideorganofluoridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
