| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:43 UTC |
|---|
| Update Date | 2025-03-21 18:39:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123993 |
|---|
| Frequency | 20.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O9S |
|---|
| Molecular Mass | 334.0359 |
|---|
| SMILES | O=C1OCCC1Cc1cc(O)c(O)c(OCOS(=O)(=O)O)c1 |
|---|
| InChI Key | DLUYAQGDTOQYEM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | phenol ethers |
|---|
| Direct Parent | phenol ethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesterstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxidealkyl sulfateorganoheterocyclic compoundorganic sulfuric acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
