Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004684965 | Bronze | neosolaniol |
| CCMSLIB00004684966 | Bronze | neosolaniol |
| CCMSLIB00004692237 | Bronze | neosolaniol |
| CCMSLIB00004692238 | Bronze | neosolaniol |
| CCMSLIB00004692239 | Bronze | neosolaniol |
| CCMSLIB00004692240 | Bronze | neosolaniol |
| CCMSLIB00004692241 | Bronze | neosolaniol |
| CCMSLIB00004692242 | Bronze | neosolaniol |
COMPOUND NPA006981
PROPERTIES
| NPAID | NPA006981 |
|---|---|
| CLUSTER ID | 122 |
| NODE ID | 116 |
| NAME | 8-acetylneosolaniol |
| FORMULA | C21H28O9 |
| MOLECULAR WEIGHT (Da) | 424.4460 |
| ACCURATE MASS (Da) | 424.1733 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Myrothecium |
| ORIGIN SPECIES | verrucaria |
| InChIKey | BIQPSTSCCIEMEI-HXZSLLSJSA-N |
| InChI | InChI=1S/C21H28O9/c1-10-6-15-20(8-26-11(2)22,7-14(10)28-12(3)23)19(5)17(29-13(4)24)16(25)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20+,21-/m0/s1 |
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ishii, Kenji; Pathre, Sadanand V; Mirocha, Chester J Two new trichothecenes produced by Fusarium roseum Journal of Agricultural and Food Chemistry 1978 26 (3) 649-653. | ||
|---|---|---|---|
| DOI | 10.1021/jf60217a030 | PMID | 659717 |
