| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:46 UTC |
|---|
| Update Date | 2025-03-21 17:59:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00019274 |
|---|
| Frequency | 212.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H21Cl3O9 |
|---|
| Molecular Mass | 426.0251 |
|---|
| SMILES | OCC1OC(OC2(CCl)OC(CCl)C(O)C(O)C2O)C(O)C(O)C1Cl |
|---|
| InChI Key | VCCXJGQXAAIGJK-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 compoundsoxanesprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholchlorohydrinhalohydrinalkyl chlorideorganochloridemonosaccharideorganohalogen compoundoxacyclesaccharideketalaliphatic heteromonocyclic compoundsecondary alcoholalkyl halidehydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compound |
|---|
