Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004681484 | Bronze | Deoxynivalenol |
| CCMSLIB00005727544 | Gold | 3 |
| CCMSLIB00005727907 | Gold | 3 |
| CCMSLIB00005727044 | Gold | 3 |
| CCMSLIB00005727192 | Gold | 3 |
| CCMSLIB00005727912 | Gold | 3 |
| CCMSLIB00005776234 | Gold | 3 |
| CCMSLIB00005775487 | Gold | 3 |
| CCMSLIB00005773543 | Gold | 3 |
| CCMSLIB00005776471 | Gold | 3 |
| CCMSLIB00005775847 | Gold | 3 |
| CCMSLIB00005777004 | Gold | 3 |
| CCMSLIB00005775696 | Gold | 3 |
| CCMSLIB00000852088 | Gold | 1 |
COMPOUND NPA005872
PROPERTIES
| NPAID | NPA005872 |
|---|---|
| CLUSTER ID | 1751 |
| NODE ID | 1420 |
| NAME | Vomitoxin |
| FORMULA | C15H20O6 |
| MOLECULAR WEIGHT (Da) | 296.3190 |
| ACCURATE MASS (Da) | 296.1260 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | graminearum |
| InChIKey | LINOMUASTDIRTM-LZTLOYDTSA-N |
| InChI | InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15-/m1/s1 |
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@]34CO4)O2)O)C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vesonder, R F; Ciegler, A; Jensen, A H Isolation of the emetic principle from Fusarium-infected corn Applied Microbiology 1973 26 (6) 1008-1010. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541220 | PMID | 4767291 |
