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CHEBI:221438 - N-methylwelwitinsolinone C isonitrile
| Formula | C22H21ClN2O2 |
| Net Charge | 0 |
| Average Mass | 380.875 |
| Monoisotopic Mass | 380.12916 |
| SMILES | [C-]#[N+][C@]12C(=O)[C@H](C=C(Cl)[C@@]1(C)C=C)C(C)(C)[C@H]1C(=O)N(C)c3cccc2c31 |
| InChI | InChI=1S/C22H21ClN2O2/c1-7-21(4)15(23)11-13-18(26)22(21,24-5)12-9-8-10-14-16(12)17(20(13,2)3)19(27)25(14)6/h7-11,13,17H,1H2,2-4,6H3/t13-,17+,21+,22+/m0/s1 |
| InChIKey | XIXVXXYJRITWPP-YLBNWIERSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hapalosiphon welwitschii (ncbitaxon:162986) | - | DOI (10.1021/jo00226a009) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-methylwelwitinsolinone C isonitrile (CHEBI:221438) is a indoles (CHEBI:24828) |
| IUPAC Name |
|---|
| (2S,3S,6R,8R)-4-chloro-3-ethenyl-2-isocyano-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.12,6.011,15]hexadeca-1(15),4,11,13-tetraene-9,16-dione |
| Manual Xrefs | Databases |
|---|---|
| 8493140 | ChemSpider |