Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005723552 | Gold | 1 |
| CCMSLIB00005723553 | Gold | 1 |
| CCMSLIB00005723554 | Gold | 1 |
COMPOUND NPA013367
PROPERTIES
| NPAID | NPA013367 |
|---|---|
| CLUSTER ID | 122 |
| NODE ID | 116 |
| NAME | Monoacetoxyscirpenol |
| FORMULA | C17H24O6 |
| MOLECULAR WEIGHT (Da) | 324.3730 |
| ACCURATE MASS (Da) | 324.1573 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | roseum |
| InChIKey | IRXDUBNENLKYTC-OINWIYPRSA-N |
| InChI | InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15-,16-,17+/m1/s1 |
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pathre, S V; Mirocha, C J; Christensen, C M; Behrens, J Monoacetoxyscirpenol. A new mycotoxin produced by Fusarium roseum Gibbosum Journal of Agricultural and Food Chemistry 1976 24 (1) 97. | ||
|---|---|---|---|
| DOI | 10.1021/jf60203a053 | PMID | 946065 |
