| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:15 UTC |
|---|
| Update Date | 2025-03-21 18:28:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072336 |
|---|
| Frequency | 41.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16N2O2S |
|---|
| Molecular Mass | 252.0932 |
|---|
| SMILES | CN(CCc1c[nH]c2ccccc12)S(C)(=O)=O |
|---|
| InChI Key | UIVDGGHTCJBVHR-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 | aminosulfonyl compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespyrroles |
|---|
| Substituents | organosulfonic acid or derivativesazacycleaminosulfonyl compoundindoleheteroaromatic compoundorganosulfur compoundorganosulfonic acid amideorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativespyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amide |
|---|
