| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:15 UTC |
|---|
| Update Date | 2025-03-25 00:49:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02172171 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13ClN2OS |
|---|
| Molecular Mass | 244.0437 |
|---|
| SMILES | CN1CCc2cc(Cl)c(S(N)=O)cc2C1 |
|---|
| InChI Key | FGWVUDRHFLLMKL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | tetrahydroisoquinolines |
|---|
| Subclass | tetrahydroisoquinolines |
|---|
| Direct Parent | tetrahydroisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aminosulfinyl compoundsaralkylaminesaryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundssulfinic acid amidestrialkylamines |
|---|
| Substituents | organochloridesulfinic acid derivativesulfinic acid amideorganosulfur compoundorganohalogen compoundaralkylamineorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary aminearyl chlorideazacycletertiary aliphatic aminearyl halideaminosulfinyl compoundorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
|---|
