Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00003061495 | Bronze | aflatoxin&B2 |
| CCMSLIB00003740015 | Bronze | aflatoxin&B2 |
| CCMSLIB00005727171 | Gold | 3 |
| CCMSLIB00005727494 | Gold | 3 |
| CCMSLIB00005727741 | Gold | 3 |
| CCMSLIB00005727168 | Gold | 3 |
| CCMSLIB00005727070 | Gold | 3 |
| CCMSLIB00005727604 | Gold | 3 |
| CCMSLIB00005775730 | Gold | 3 |
| CCMSLIB00005772472 | Gold | 3 |
| CCMSLIB00005772526 | Gold | 3 |
| CCMSLIB00005775864 | Gold | 3 |
| CCMSLIB00005773518 | Gold | 3 |
| CCMSLIB00005774149 | Gold | 3 |
| CCMSLIB00005774708 | Gold | 3 |
| CCMSLIB00005773683 | Gold | 3 |
| CCMSLIB00005776646 | Gold | 3 |
COMPOUND NPA010640
PROPERTIES
| NPAID | NPA010640 |
|---|---|
| CLUSTER ID | 672 |
| NODE ID | 7 |
| NAME | Aflatoxin b2 |
| FORMULA | C17H14O6 |
| MOLECULAR WEIGHT (Da) | 314.2930 |
| ACCURATE MASS (Da) | 314.0790 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavus |
| InChIKey | WWSYXEZEXMQWHT-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3 |
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | CHANG, S B; ABDEL-KADER, M M; WICK, E L; WOGAN, G N AFLATOXIN B2: CHEMICAL IDENTITY AND BIOLOGICAL ACTIVITY Science 1963 142 (3596) 1191-1192. | ||
|---|---|---|---|
| DOI | 10.1126/science.142.3596.1191 | PMID | 14072177 |
SYNTHESES
| CITATION 1 | Zhou G; Corey EJ Short, enantioselective total synthesis of aflatoxin B2 using an asymmetric [3+2]-cycloaddition step. Journal of the American Chemical Society 2005 127 (34) 11958-9. DOI: 10.1021/ja054503m PMID: 16117532 | ||
|---|---|---|---|
