| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:49 UTC |
|---|
| Update Date | 2025-03-25 00:56:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02221753 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H15Cl3O7 |
|---|
| Molecular Mass | 435.9883 |
|---|
| SMILES | OC1OC(O)C(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)C(O)C1O |
|---|
| InChI Key | BQTFYWMFKFFEPN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylethers |
|---|
| Direct Parent | diphenylethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalkyl aryl ethersaryl chloridesdiarylethersdichlorobenzeneshemiacetalshydrocarbon derivativesmonosaccharidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcohols |
|---|
| Substituents | diaryl etherphenol etheretheraromatic heteromonocyclic compoundorganochloridemonosaccharidealkyl aryl etherorganohalogen compound1,3-dichlorobenzenesaccharidehemiacetaloxaneorganoheterocyclic compound1,2-diolaryl chloridechlorobenzenealcoholaryl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
|---|
