| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:53 UTC |
|---|
| Update Date | 2025-03-21 18:28:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00073881 |
|---|
| Frequency | 40.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H6Cl2O2 |
|---|
| Molecular Mass | 155.9745 |
|---|
| SMILES | CCOC(=O)C(Cl)Cl |
|---|
| InChI Key | IWYBVQLPTCMVFO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | alpha-halocarboxylic acids and derivatives |
|---|
| Direct Parent | alpha-halocarboxylic acid derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl chloridescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupalkyl chlorideorganochlorideorganohalogen compoundalpha-halocarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
