| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:40 UTC |
|---|
| Update Date | 2025-03-25 00:50:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02182330 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13Cl3O6 |
|---|
| Molecular Mass | 357.9778 |
|---|
| SMILES | OC1OC(COc2c(Cl)cc(Cl)cc2Cl)C(O)C(O)C1O |
|---|
| InChI Key | QKPUELIHHUIMFJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | phenol ethers |
|---|
| Direct Parent | phenol ethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl chlorideschlorobenzeneshemiacetalshydrocarbon derivativesmonosaccharidesorganochloridesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compoundorganochloridemonosaccharidealkyl aryl etherorganohalogen compoundsaccharidehemiacetaloxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholaryl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
