| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:23 UTC |
|---|
| Update Date | 2025-03-25 01:01:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250285 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8N2O3S |
|---|
| Molecular Mass | 236.0256 |
|---|
| SMILES | O=C(O)c1csc(Nc2ccc(O)cc2)n1 |
|---|
| InChI Key | CJLABZMXMGLLGP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azoles |
|---|
| Subclass | thiazoles |
|---|
| Direct Parent | thiazolecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2,4-disubstituted thiazolesamino acidsazacyclic compoundsbenzene and substituted derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary amines |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativethiazolecarboxylic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compound2,4-disubstituted 1,3-thiazolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
