| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:01 UTC |
|---|
| Update Date | 2025-03-25 00:46:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153547 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H14O9S |
|---|
| Molecular Mass | 370.0359 |
|---|
| SMILES | COc1ccc(C2Oc3cc(O)cc(OS(=O)O)c3OC2O)cc1O |
|---|
| InChI Key | HNSHJBQBNQHLHX-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 ethersanisolesbenzo-1,4-dioxaneshemiacetalshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundspara dioxinsphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundhemiacetal2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxane1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundpara-dioxinanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
