Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00006718079 | Gold | 3 |
COMPOUND NPA013289
PROPERTIES
| NPAID | NPA013289 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Aflatrem |
| FORMULA | C32H39NO4 |
| MOLECULAR WEIGHT (Da) | 501.6670 |
| ACCURATE MASS (Da) | 501.2879 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. |
| InChIKey | YVDJBQQJIDPRKP-SLUQHKSNSA-N |
| InChI | InChI=1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1 |
| SMILES | C[C@]12CC[C@]34C(=CC(=O)[C@H](O3)C(O4)(C)C)[C@@]1(CC[C@@H]5[C@@]2(C6=C(C5)C7=C(C=CC=C7N6)C(C)(C)C=C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gallagher, R T; Wilson, B J Aflatrem, the tremorgenic mycotoxin from Aspergillus flavus Mycopathologia 1979 66 (3) 183-185. | ||
|---|---|---|---|
| DOI | 10.1007/bf00683969 | PMID | 108599 |
