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CHEBI:206833 - Ambiguine M isonitrile
| Formula | C26H31ClN2O2 |
| Net Charge | 0 |
| Average Mass | 438.999 |
| Monoisotopic Mass | 438.20741 |
| SMILES | [C-]#[N+][C@]12C[C@@H](O)C(C)(C)c3nc4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C |
| InChI | InChI=1S/C26H31ClN2O2/c1-8-24(6)17(27)12-16-22(2,3)14-10-9-11-15-19(14)20-21(29-15)23(4,5)18(30)13-25(24,28-7)26(16,20)31/h8-11,16-18,29-31H,1,12-13H2,2-6H3/t16-,17-,18-,24+,25+,26-/m1/s1 |
| InChIKey | JUZKIODJYIMVBI-INSWYDPJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fischerella ambigua UTEX 1903 (ncbitaxon:230521) | - | PubMed (19371071) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ambiguine M isonitrile (CHEBI:206833) is a indoles (CHEBI:24828) |
| IUPAC Name |
|---|
| (9R,11S,12R,13R,15R,16R)-13-chloro-12-ethenyl-11-isocyano-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.05,18.07,17.011,16]nonadeca-1(18),2,4,7(17)-tetraene-9,16-diol |
| Manual Xrefs | Databases |
|---|---|
| 24629040 | ChemSpider |