| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:51 UTC |
|---|
| Update Date | 2025-03-21 18:34:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100134 |
|---|
| Frequency | 27.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10N2O2S |
|---|
| Molecular Mass | 198.0463 |
|---|
| SMILES | O=C1CCC(Cc2c[nH]c(=S)[nH]2)O1 |
|---|
| InChI Key | XLDGAXLJHVCBHA-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 compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstetrahydrofuransthioureas |
|---|
| Substituents | carbonyl groupthioureaaromatic heteromonocyclic compoundimidazole-2-thioneorganosulfur compoundcarboxylic acid derivativelactoneorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundazoleazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
