| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:02 UTC |
|---|
| Update Date | 2025-03-21 17:59:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00022103 |
|---|
| Frequency | 179.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H12O10S |
|---|
| Molecular Mass | 372.0151 |
|---|
| SMILES | O=S(=O)(O)OC1Oc2cc(O)cc(O)c2OC1c1ccc(O)c(O)c1 |
|---|
| InChI Key | ZORRGJYUAVBPRG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxanes |
|---|
| Subclass | phenylbenzodioxanes |
|---|
| Direct Parent | phenylbenzo-1,4-dioxanes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesbenzene and substituted derivativesbenzo-1,4-dioxaneshydrocarbon derivativesorganic oxidesoxacyclic compoundspara dioxinssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundalkyl sulfate2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxaneorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpara-dioxinsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
|---|
