| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:16 UTC |
|---|
| Update Date | 2025-03-21 18:38:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00122957 |
|---|
| Frequency | 21.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H7Cl3O4 |
|---|
| Molecular Mass | 247.941 |
|---|
| SMILES | CC(=O)OC(OC(C)=O)C(Cl)(Cl)Cl |
|---|
| InChI Key | IWIWETTVPPKULN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | acylals |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetalsalkyl chloridescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochlorides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupalkyl chlorideorganochlorideorganohalogen compoundacylalorganic oxideorganic oxygen compoundacetaldicarboxylic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
