| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 08:47:55 UTC |
|---|
| Update Date | 2025-03-25 00:25:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01318139 |
|---|
| Frequency | 1.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8N2O |
|---|
| Molecular Mass | 136.0637 |
|---|
| SMILES | CC(=O)C=Cn1ccnc1 |
|---|
| InChI Key | RZSFZFDRRJBNIE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azoles |
|---|
| Subclass | imidazoles |
|---|
| Direct Parent | n-substituted imidazoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsazacyclic compoundsenonesheteroaromatic compoundshydrocarbon derivativesimidazolesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
|---|
| Substituents | vinylogous amidecarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha,beta-unsaturated ketoneketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundn-substituted imidazoleenone |
|---|
