| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:59 UTC |
|---|
| Update Date | 2025-03-25 00:50:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183020 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20O8S |
|---|
| Molecular Mass | 384.0879 |
|---|
| SMILES | O=S(=O)(O)Oc1ccc(CC(O)C(CO)Cc2cccc(O)c2)cc1O |
|---|
| InChI Key | BEFCTXJPFJMTJH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lignans, neolignans and related compounds |
|---|
| Class | Not Available |
|---|
| Subclass | lignans, neolignans and related compounds |
|---|
| Direct Parent | lignans, neolignans and related compounds |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesorganic oxidesphenoxy compoundsphenylsulfatesprimary alcoholssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidnorlignan skeleton1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterprimary alcoholorganooxygen compound |
|---|
