EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H13N3O2 |
| Net Charge | 0 |
| Average Mass | 219.244 |
| Monoisotopic Mass | 219.10078 |
| SMILES | COC(=O)c1ccc2c(c1)nnn2C(C)C |
| InChI | InChI=1S/C11H13N3O2/c1-7(2)14-10-5-4-8(11(15)16-3)6-9(10)12-13-14/h4-7H,1-3H3 |
| InChIKey | RBRRVGONXXCEBA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bombus terrestris (ncbitaxon:30195) | |||
| hemolymph (BTO:0000572) | MetaboLights (MTBLS3637) | ||
| brain (BTO:0000142) | MetaboLights (MTBLS3637) | ||
| hindgut (BTO:0000510) | MetaboLights (MTBLS3637) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl 1-isopropyl-1H-1,2,3-benzotriazole-5-carboxylate (CHEBI:183449) is a benzotriazoles (CHEBI:48912) |
| IUPAC Name |
|---|
| methyl 1-propan-2-ylbenzotriazole-5-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 2101652 | ChemSpider |