| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:36 UTC |
|---|
| Update Date | 2025-03-25 00:59:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234682 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H9O7S+ |
|---|
| Molecular Mass | 309.0064 |
|---|
| SMILES | O=S(=O)(O)Oc1ccc2oc(-c3ccc(O)cc3)[o+]c2c1 |
|---|
| InChI Key | FHQMUTQRXSKOMN-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | arylsulfates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidorganic cationsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
|---|
