| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:31 UTC |
|---|
| Update Date | 2025-03-25 00:52:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02195505 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H22O11S |
|---|
| Molecular Mass | 434.0883 |
|---|
| SMILES | CC1OC(Oc2cc(CC3CCC(=O)O3)cc(OS(=O)(=O)O)c2)C(O)C(O)C1O |
|---|
| InChI Key | VIPWSMNXTLOJMI-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 | acetalscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholssulfuric acid monoesterstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativelactonephenylsulfatesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
