| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:55 UTC |
|---|
| Update Date | 2025-03-25 00:56:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219642 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16NO2S+ |
|---|
| Molecular Mass | 250.0896 |
|---|
| SMILES | COc1cc(C[n+]2csc(C)c2C)ccc1O |
|---|
| InChI Key | CCTCQGSWVYUWML-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4,5-disubstituted thiazolesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic cationsorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundmethoxybenzene4,5-disubstituted 1,3-thiazoleorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundthiazoleorganooxygen compound |
|---|
