| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:39 UTC |
|---|
| Update Date | 2025-03-21 18:33:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00094733 |
|---|
| Frequency | 29.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8N2O2S |
|---|
| Molecular Mass | 172.0306 |
|---|
| SMILES | COC(=O)Cc1c[nH]c(=S)[nH]1 |
|---|
| InChI Key | ZXHFNZIMVMYKBA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azolines |
|---|
| Subclass | imidazolines |
|---|
| Direct Parent | imidazolethiones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
|---|
| Substituents | carbonyl groupthioureaaromatic heteromonocyclic compoundazacycleheteroaromatic compoundimidazole-2-thioneorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundimidazolecarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazole |
|---|
