Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003112
PROPERTIES
| NPAID | NPA003112 |
|---|---|
| CLUSTER ID | 490 |
| NODE ID | 440 |
| NAME | AAL-Toxin |
| FORMULA | C25H47NO10 |
| MOLECULAR WEIGHT (Da) | 521.6480 |
| ACCURATE MASS (Da) | 521.3200 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | alternata |
| InChIKey | DOFQASYPBACFKP-UMSUPTIDSA-N |
| InChI | InChI=1S/C25H47NO10/c1-4-16(3)24(36-23(33)12-17(25(34)35)11-22(31)32)21(30)10-15(2)8-6-5-7-9-19(28)20(29)13-18(27)14-26/h15-21,24,27-30H,4-14,26H2,1-3H3,(H,31,32)(H,34,35)/t15?,16?,17?,18-,19+,20-,21?,24?/m0/s1 |
| SMILES | CCC(C)C(C(CC(C)CCCCC[C@H]([C@H](C[C@@H](CN)O)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Abbas, Hamed K.; Vesonder, R.F. Isolation and purification of aal-toxin from Alternaria alternata grown on rice Toxicon 1993 31 (3) 355-358. | ||
|---|---|---|---|
| DOI | 10.1016/0041-0101(93)90153-a | PMID | - |
