| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:51 UTC |
|---|
| Update Date | 2025-03-25 00:45:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150794 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H6O6S |
|---|
| Molecular Mass | 241.9885 |
|---|
| SMILES | O=c1c(OS(=O)(=O)O)cccc2ccoc12 |
|---|
| InChI Key | HHIDLMHXKMJMEC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | cycloheptafurans |
|---|
| Subclass | cycloheptafurans |
|---|
| Direct Parent | cycloheptafurans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | arylsulfatesfuransheteroaromatic compoundsorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoesterstropones |
|---|
| Substituents | furansulfuric acid monoestertroponeorganic sulfuric acid or derivativesheteroaromatic compoundoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsulfate-esterhydrocarbon derivativearylsulfatecycloheptafuransulfuric acid esterorganooxygen compound |
|---|
