Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016946
PROPERTIES
| NPAID | NPA016946 |
|---|---|
| CLUSTER ID | 5744 |
| NODE ID | 4057 |
| NAME | Spiroscytalin |
| FORMULA | C22H27NO2 |
| MOLECULAR WEIGHT (Da) | 337.4630 |
| ACCURATE MASS (Da) | 337.2042 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Scytalidium |
| ORIGIN SPECIES | cuboideum (MSX 68345) |
| InChIKey | ZUCYLMDAXHXTEP-YQRBJHIPSA-N |
| InChI | InChI=1S/C22H27NO2/c1-14-7-6-10-17-12-11-15(2)22(19(14)17)20(24)18(23-21(22)25)13-16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,17-19H,6-7,10,13H2,1-2H3,(H,23,25)/t14-,15-,17+,18+,19+,22-/m1/s1 |
| SMILES | C[C@@H]1CCC[C@H]2C=C[C@@H](C)[C@@]3(C(=O)N[C@@H](CC4=CC=CC=C4)C3=O)[C@@H]12 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sy-Cordero, Arlene A.; Figueroa, Mario; Raja, Huzefa A.; Meza Aviña, Maria Elena; Croatt, Mitchell P.; Adcock, Audrey F.; Kroll, David J.; Wani, Mansukh C.; Pearce, Cedric J.; Oberlies, Nicholas H. Spiroscytalin, a new tetramic acid and other metabolites of mixed biogenesis from Scytalidium cuboideum Tetrahedron 2015 71 (47) 8899-8904. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2015.09.073 | PMID | 26525642 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@H]1CCC[C@H]2[C@@H]1[C@@]3([C@H](C=C2)C)C(=O)[C@H](NC3=O)CC4=CC=CC=C4 | Sy-Cordero, Arlene A.; Figueroa, Mario; Raja, Huzefa A.; Meza Aviña, Maria Elena; Croatt, Mitchell P.; Adcock, Audrey F.; Kroll, David J.; Wani, Mansukh C.; Pearce, Cedric J.; Oberlies, Nicholas H. Spiroscytalin, a new tetramic acid and other metabolites of mixed biogenesis from Scytalidium cuboideum Tetrahedron 2015 71 (47) 8899-8904. DOI: 10.1016/j.tet.2015.09.073 PMID: 26525642 | ||
| 2 | C[C@@H]1CCC[C@H]2C=C[C@@H](C)[C@@]3(C(=O)N[C@@H](CC4=CC=CC=C4)C3=O)[C@@H]12 | Kempf, Karl; Kempf, Oxana; Orozco, Manuel; Bilitewski, Ursula; Schobert, Rainer Synthesis and Structural Revision of the Fungal Tetramic Acid Metabolite Spiroscytalin. Journal of Organic Chemistry 2017 82 (15) 7791-7795. DOI: 10.1021/acs.joc.7b00727 PMID: 28703001 | ||
