Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000463
PROPERTIES
| NPAID | NPA000463 |
|---|---|
| CLUSTER ID | 360 |
| NODE ID | 325 |
| NAME | N-methylwelwitindolinone D isonitrile |
| FORMULA | C22H20N2O4 |
| MOLECULAR WEIGHT (Da) | 376.4120 |
| ACCURATE MASS (Da) | 376.1423 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Fischerella |
| ORIGIN SPECIES | sp. |
| InChIKey | UIYNCSYDIUPTBP-VQKSPFJLSA-N |
| InChI | InChI=1S/C22H20N2O4/c1-7-20(4)17(26)15-14-16(25)21(20,23-5)11-9-8-10-12-13(11)22(28-15,19(14,2)3)18(27)24(12)6/h7-10,14-15H,1H2,2-4,6H3/t14-,15+,20+,21+,22-/m0/s1 |
| SMILES | C[C@]1(C(=O)[C@H]2[C@H]3C(=O)[C@@]1(C4=C5C(=CC=C4)N(C(=O)[C@@]5(C3(C)C)O2)C)[N+]#[C-])C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jimenez, Jorge I.; Huber, Udo; Moore, Richard E.; Patterson, Gregory M. L. Oxidized welwitindolinones from terrestrial Fischerella spp Journal of Natural Products 1999 62 (4) 569-572. | ||
|---|---|---|---|
| DOI | 10.1021/np980485t | PMID | 10217710 |
SYNTHESES
| CITATION 1 | Bhat V; Allan KM; Rawal VH Total synthesis of N-methylwelwitindolinone D isonitrile. Journal of the American Chemical Society 2011 133 (15) 5798-5801. DOI: 10.1021/ja201834u PMID: 21446729 | ||
|---|---|---|---|
| CITATION 2 | Styduhar ED; Huters AD; Weires NA; Garg NK Enantiospecific total synthesis of N-methylwelwitindolinone D isonitrile. Angewandte Chemie International Edition 2013 52 (47) 12422-12425. DOI: 10.1002/anie.201307464 PMID: 24123612 | ||
