Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727537 | Gold | 3 |
| CCMSLIB00005727695 | Gold | 3 |
| CCMSLIB00005727268 | Gold | 3 |
| CCMSLIB00005727921 | Gold | 3 |
| CCMSLIB00005727425 | Gold | 3 |
| CCMSLIB00005727766 | Gold | 3 |
| CCMSLIB00005727263 | Gold | 3 |
| CCMSLIB00005727822 | Gold | 3 |
| CCMSLIB00005727562 | Gold | 3 |
| CCMSLIB00005727493 | Gold | 3 |
| CCMSLIB00000847573 | Gold | 1!CCMSLIB00000847574 |
| CCMSLIB00012113088 | Gold | 4 |
| CCMSLIB00009952885 | Gold | 4 |
COMPOUND NPA008490
PROPERTIES
| NPAID | NPA008490 |
|---|---|
| CLUSTER ID | 490 |
| NODE ID | 440 |
| NAME | Fumonisin B3 |
| FORMULA | C34H59NO14 |
| MOLECULAR WEIGHT (Da) | 705.8390 |
| ACCURATE MASS (Da) | 705.3936 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | moniliforme |
| InChIKey | CPCRJSQNWHCGOP-ZYKBYZIHSA-N |
| InChI | InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22+,23+,24+,25+,26-,27-,32+/m0/s1 |
| SMILES | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCCCC[C@@H]([C@@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gelderblom, Wentzel C. A.; Sewram, Vikash; Shephard, Gordon S.; Snijman, Petra W.; Tenza, Kenny; Westhuizen, Liana van der; Vleggaar, Robert Structure and Natural Occurrence of Stereoisomers of the Fumonisin B Series Mycotoxins Journal of Agricultural and Food Chemistry 2007 55 (11) 4388-4394. | ||
|---|---|---|---|
| DOI | 10.1021/jf070061h | PMID | 17469843 |
