| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:16 UTC |
|---|
| Update Date | 2025-03-21 18:03:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00043982 |
|---|
| Frequency | 77.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H17Cl3O7 |
|---|
| Molecular Mass | 366.004 |
|---|
| SMILES | OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C1Cl |
|---|
| InChI Key | JWBJMPJHTVHRCK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | ethers |
|---|
| Direct Parent | ketals |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl chlorideschlorohydrinshydrocarbon derivativesmonosaccharidesorganochloridesoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholchlorohydrintetrahydrofuranhalohydrinalkyl chlorideorganochloridemonosaccharideorganohalogen compoundoxacyclesaccharideketalaliphatic heteromonocyclic compoundsecondary alcoholalkyl halidehydrocarbon derivativeprimary alcoholorganoheterocyclic compound |
|---|
