| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:53 UTC |
|---|
| Update Date | 2025-03-25 00:55:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02214945 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H7F3O4 |
|---|
| Molecular Mass | 200.0296 |
|---|
| SMILES | CCC(=O)OC(C(=O)O)C(F)(F)F |
|---|
| InChI Key | MBAXMMXLRIVIQZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl fluoridescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesorganofluorides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl fluorideorganofluorideorganohalogen compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
