| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:28 UTC |
|---|
| Update Date | 2025-03-25 00:49:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177305 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O5S |
|---|
| Molecular Mass | 272.0718 |
|---|
| SMILES | Cc1ccc2c(c1OS(=O)(=O)O)OC(C)(C)CC2 |
|---|
| InChI Key | VJFOJMLOFWXACX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 1-benzopyrans |
|---|
| Direct Parent | 2,2-dimethyl-1-benzopyrans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersarylsulfatesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesteretherorganic sulfuric acid or derivatives2,2-dimethyl-1-benzopyranalkyl aryl etheroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
|---|
