| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:37 UTC |
|---|
| Update Date | 2025-03-25 00:50:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02182219 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6F4O5 |
|---|
| Molecular Mass | 234.0151 |
|---|
| SMILES | O=C(O)C1OC(F)(C(F)(F)F)C(O)C1O |
|---|
| InChI Key | UWLRJZYLMZLRCZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalkyl fluoridescarbonyl compoundscarboxylic acidsdialkyl ethersfluorohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganofluoridesoxacyclic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | carbonyl groupethercarboxylic acidmonosaccharidefluorohydrincarboxylic acid derivativeorganohalogen compounddialkyl etherbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundalkyl halideorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhalohydrinalkyl fluorideorganofluorideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
