Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727786 | Gold | 3 |
| CCMSLIB00005727663 | Gold | 3 |
| CCMSLIB00005727620 | Gold | 3 |
| CCMSLIB00005727687 | Gold | 3 |
| CCMSLIB00005727407 | Gold | 3 |
| CCMSLIB00005727787 | Gold | 3 |
| CCMSLIB00005727702 | Gold | 3 |
COMPOUND NPA001928
PROPERTIES
| NPAID | NPA001928 |
|---|---|
| CLUSTER ID | 490 |
| NODE ID | 440 |
| NAME | Epi-Fumonisin B4 |
| FORMULA | C34H59NO13 |
| MOLECULAR WEIGHT (Da) | 689.8400 |
| ACCURATE MASS (Da) | 689.3986 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | verticillioides MRC 826 |
| InChIKey | WYYKRDVIBOEORL-CZLAQMSGSA-N |
| InChI | InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23-,24+,25+,26+,27-,32+/m0/s1 |
| SMILES | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCCCC[C@H]([C@H](C)N)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 |
