| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:32 UTC |
|---|
| Update Date | 2025-03-25 00:46:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02156972 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H12O8S |
|---|
| Molecular Mass | 340.0253 |
|---|
| SMILES | O=C(OCc1ccc(O)c(O)c1)c1ccc(OS(=O)(=O)O)cc1 |
|---|
| InChI Key | OYWBNALRNLHTHA-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 homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acid estersbenzoyl derivativesbenzyloxycarbonylscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | benzyloxycarbonylmonocyclic benzene moietysulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estercarboxylic acid derivativephenylsulfateorganic oxidebenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
