Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00010114283 | Gold | 3 |
| CCMSLIB00010114284 | Gold | 3 |
| CCMSLIB00010125610 | Gold | 3 |
| CCMSLIB00010125611 | Gold | 3 |
COMPOUND NPA017485
PROPERTIES
| NPAID | NPA017485 |
|---|---|
| CLUSTER ID | 84 |
| NODE ID | 79 |
| NAME | Gliotoxin |
| FORMULA | C13H14N2O4S2 |
| MOLECULAR WEIGHT (Da) | 326.3990 |
| ACCURATE MASS (Da) | 326.0395 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Gliocladium |
| ORIGIN SPECIES | fimbriatum |
| InChIKey | FIVPIPIDMRVLAY-HIAZDOBYSA-N |
| InChI | InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9+,12+,13+/m0/s1 |
| SMILES | CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@@H]4N2C(=O)[C@]1(SS3)CO)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bell, Malcolm R; Johnson, John R; Wildi, Bernard S; Woodward, RB The structure of gliotoxin Journal of the American Chemical Society 1958 80 (4) 1001-1001. | ||
|---|---|---|---|
| DOI | 10.1021/ja01537a065 | PMID | - |
