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CHEBI:177550 - (7alpha,13beta)-2-Oxospartein-13-yl 1H-pyrrole-2-carboxylate
| Formula | C20H27N3O3 |
| Net Charge | 0 |
| Average Mass | 357.454 |
| Monoisotopic Mass | 357.20524 |
| SMILES | [H][C@@]12CN3CC[C@H](OC(=O)c4cccn4)C[C@@]3([H])[C@]([H])(CN3C(=O)CCC[C@@]31[H])C2 |
| InChI | InChI=1S/C20H27N3O3/c24-19-5-1-4-17-13-9-14(12-23(17)19)18-10-15(6-8-22(18)11-13)26-20(25)16-3-2-7-21-16/h2-3,7,13-15,17-18,21H,1,4-6,8-12H2/t13-,14+,15+,17-,18+/m1/s1 |
| InChIKey | YFRYJFMFQOBOSY-WBOSRHFRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | Sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (7alpha,13beta)-2-Oxospartein-13-yl 1H-pyrrole-2-carboxylate (CHEBI:177550) is a quinolizidine alkaloid (CHEBI:26515) |
| IUPAC Name |
|---|
| [(1S,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 1H-pyrrole-2-carboxylate |