| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:31 UTC |
|---|
| Update Date | 2025-03-21 18:28:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072968 |
|---|
| Frequency | 40.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14Cl2O6 |
|---|
| Molecular Mass | 324.0167 |
|---|
| SMILES | OCC1OC(Oc2ccc(Cl)cc2Cl)C(O)C(O)C1O |
|---|
| InChI Key | FMLFENLCSTYAST-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | dichlorobenzenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsaryl chlorideshydrocarbon derivativesmonosaccharidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | phenol etheraromatic heteromonocyclic compoundorganochloridemonosaccharideorganohalogen compound1,3-dichlorobenzenesaccharideacetaloxaneprimary alcoholorganoheterocyclic compoundaryl chloridealcoholaryl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
