| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:48 UTC |
|---|
| Update Date | 2025-03-25 01:01:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02248917 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H11NOS |
|---|
| Molecular Mass | 241.0561 |
|---|
| SMILES | COc1ccc(-c2nc3ccccc3s2)cc1 |
|---|
| InChI Key | AOPZIJQISHFZBN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazoles |
|---|
| Subclass | benzothiazoles |
|---|
| Direct Parent | benzothiazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsthiazoles |
|---|
| Substituents | 1,3-benzothiazolephenol ethermonocyclic benzene moietyetherazacycleheteroaromatic compoundalkyl aryl ethermethoxybenzeneorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundthiazoleorganooxygen compoundazole |
|---|
