| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:51 UTC |
|---|
| Update Date | 2025-03-25 00:50:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178203 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9Cl5O2 |
|---|
| Molecular Mass | 311.9045 |
|---|
| SMILES | COC(=O)C1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl |
|---|
| InChI Key | MKQATMDNZXROJX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organohalogen compounds |
|---|
| Class | alkyl halides |
|---|
| Subclass | cyclohexyl halides |
|---|
| Direct Parent | cyclohexyl halides |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl chloridescarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
|---|
| Substituents | carbonyl groupalkyl chlorideorganochloridecyclohexyl halidecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esteraliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
