| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:41:06 UTC |
|---|
| Update Date | 2025-03-21 17:58:57 UTC |
|---|
| HMDB ID | HMDB0240506 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00017783 |
|---|
| Name | Enterolactone 3''-sulfate |
|---|
| Frequency | 235.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H18O7S |
|---|
| Molecular Mass | 378.0773 |
|---|
| SMILES | O=C1OCC(Cc2cccc(OS(=O)(=O)O)c2)C1Cc1cccc(O)c1 |
|---|
| InChI Key | SPRPHXPXKOEYDB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lignans, neolignans and related compounds |
|---|
| Class | furanoid lignans |
|---|
| Subclass | tetrahydrofuran lignans |
|---|
| Direct Parent | dibenzylbutyrolactone lignans |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeslignan lactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesterstetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelignan lactonelactonephenylsulfateorganic oxidearylsulfateorganoheterocyclic compoundorganic sulfuric acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
