| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:17 UTC |
|---|
| Update Date | 2025-03-21 18:36:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108623 |
|---|
| Frequency | 24.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H7O7S+ |
|---|
| Molecular Mass | 258.9907 |
|---|
| SMILES | O=S(=O)(O)Oc1c[o+]c2cc(O)cc(O)c2c1 |
|---|
| InChI Key | WVCHODWYNILUSW-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 1-benzopyrans |
|---|
| Direct Parent | 1-benzopyrans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsarylsulfatesbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivatives1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic cationsulfuric acid esterorganooxygen compound |
|---|
