| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:53 UTC |
|---|
| Update Date | 2025-03-25 00:50:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180559 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H10O2S |
|---|
| Molecular Mass | 218.0402 |
|---|
| SMILES | COc1ccc(C(=O)c2ccsc2)cc1 |
|---|
| InChI Key | KRAFKJLSLUZFSZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl-phenylketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesaryl ketonesbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsthiophene carboxylic acids and derivatives |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compoundaryl-phenylketoneheteroaromatic compoundbenzoylthiophenealkyl aryl ethermethoxybenzenethiophene carboxylic acid or derivativesorganic oxideanisolehydrocarbon derivativebenzenoidphenoxy compoundorganoheterocyclic compound |
|---|
