| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:34:36 UTC |
|---|
| Update Date | 2025-03-21 17:56:40 UTC |
|---|
| HMDB ID | HMDB0059987 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002874 |
|---|
| Name | 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-sulphate |
|---|
| Frequency | 2066.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O8S |
|---|
| Molecular Mass | 304.0253 |
|---|
| SMILES | O=C1CCC(Cc2cc(O)c(OS(=O)(=O)O)c(O)c2)O1 |
|---|
| InChI Key | NPIMUIQBYBJSBB-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 heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsresorcinolssulfuric acid monoesterstetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinollactonephenylsulfateorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
