Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008841
PROPERTIES
| NPAID | NPA008841 |
|---|---|
| CLUSTER ID | 490 |
| NODE ID | 440 |
| NAME | AAL Toxin Tb2 |
| FORMULA | C25H47NO9 |
| MOLECULAR WEIGHT (Da) | 505.6490 |
| ACCURATE MASS (Da) | 505.3251 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | alternata f. sp. lycopersici |
| InChIKey | RXORSUNDLFDGCD-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H47NO9/c1-4-17(3)24(35-23(32)13-18(25(33)34)12-22(30)31)21(29)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-29H,4-15,26H2,1-3H3,(H,30,31)(H,33,34) |
| SMILES | CCC(C)C(C(CC(C)CCCCCCC(CC(CN)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Caldas, Eloisa D.; Jones, A. Daniel; Ward, Barney; Winter, Carl K.; Gilchrist, David G. Structural characterization of three new AAL toxins produced by Alternaria alternata f. sp. lycopersici. Journal of Agricultural and Food Chemistry 1994 42 (2) 327-333. | ||
|---|---|---|---|
| DOI | 10.1021/jf00038a018 | PMID | - |
