| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:13 UTC |
|---|
| Update Date | 2025-03-25 00:57:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02222673 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H14O10S |
|---|
| Molecular Mass | 386.0308 |
|---|
| SMILES | O=S(=O)(O)Oc1cc(CC2Cc3c(O)cc(O)cc3OO2)cc(O)c1O |
|---|
| InChI Key | NMOZBUFBMYQLHY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzo-1,2-dioxaneshydrocarbon derivativesorganic oxidesorganooxygen compoundsortho dioxinsoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidbenzodioxanephenylsulfateoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundortho-dioxinbenzo-1,2-dioxanesulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
|---|
