| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:18 UTC |
|---|
| Update Date | 2025-03-25 00:53:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201919 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H14O7S |
|---|
| Molecular Mass | 350.046 |
|---|
| SMILES | Cc1cc2c(cc1OS(=O)(=O)O)C(=O)CC(c1ccc(O)cc1)O2 |
|---|
| InChI Key | XOPDKRRFHHPSFS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavans |
|---|
| Direct Parent | flavanones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoidsalkyl aryl ethersaryl alkyl ketonesarylsulfatesbenzene and substituted derivativeschromoneshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesteretheraryl alkyl ketone1-benzopyranflavanone1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundchromanearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativesoxacycleorganic oxygen compound4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compoundaryl ketone |
|---|
