| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:02 UTC |
|---|
| Update Date | 2025-03-25 00:50:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183127 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9NO3S |
|---|
| Molecular Mass | 199.0303 |
|---|
| SMILES | O=S(=O)(O)c1ccc2c(c1)CCN2 |
|---|
| InChI Key | PAIWTNHDWUIISN-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 | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidshydrocarbon derivativesindolinesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary alkylarylaminessulfonyls |
|---|
| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundazacycleindoleorganosulfonic acidorganosulfur compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compounddihydroindoleamine |
|---|
