| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:38 UTC |
|---|
| Update Date | 2025-03-21 17:57:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00007607 |
|---|
| Frequency | 660.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO5S |
|---|
| Molecular Mass | 243.0201 |
|---|
| SMILES | O=S(=O)(O)OC(O)c1c[nH]c2ccccc12 |
|---|
| InChI Key | VXQGXRAYEHZLGY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indoles |
|---|
| Direct Parent | indoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl sulfatesaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
|---|
| Substituents | aromatic alcoholsulfuric acid monoesterorganic sulfuric acid or derivativesazacycleindoleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatepyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
