Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013419
PROPERTIES
| NPAID | NPA013419 |
|---|---|
| CLUSTER ID | 4919 |
| NODE ID | 3535 |
| NAME | AS-I toxin |
| FORMULA | C15H26N4O8 |
| MOLECULAR WEIGHT (Da) | 390.3930 |
| ACCURATE MASS (Da) | 390.1751 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | alternata |
| InChIKey | BUADZOJMDKUNMV-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H26N4O8/c1-7(2)12(19-13(24)8(16)6-20)14(25)17-5-10(21)18-9(15(26)27)3-4-11(22)23/h7-9,12,20H,3-6,16H2,1-2H3,(H,17,25)(H,18,21)(H,19,24)(H,22,23)(H,26,27) |
| SMILES | CC(C)C(C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CO)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liakopoulou-Kyriakides, M.; Lagopodi, A. L.; Thanassoulopoulos, C. C.; Stavropoulos, G. S.; Magafa, V. Isolation and synthesis of a host-selective toxin produced by Alternaria alternata Phytochemistry 1997 45 (1) 37-40. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(96)00789-3 | PMID | - |
