Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027386
PROPERTIES
| NPAID | NPA027386 |
|---|---|
| CLUSTER ID | 8263 |
| NODE ID | 4987 |
| NAME | 6-O-diacetyl(A,B)-α-cyclodextrin |
| FORMULA | C40H64O32 |
| MOLECULAR WEIGHT (Da) | 1056.9200 |
| ACCURATE MASS (Da) | 1056.3381 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. XSPORK2A |
| InChIKey | VLCCEAXCRNFUDB-YNDJXNPESA-N |
| InChI | InChI=1S/C40H64O32/c1-9(45)59-7-15-33-22(52)28(58)40(66-15)72-34-16(8-60-10(2)46)65-39(27(57)21(34)51)70-32-14(6-44)63-37(25(55)19(32)49)68-30-12(4-42)61-35(23(53)17(30)47)67-29-11(3-41)62-36(24(54)18(29)48)69-31-13(5-43)64-38(71-33)26(56)20(31)50/h11-44,47-58H,3-8H2,1-2H3/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35?,36?,37?,38?,39?,40?/m1/s1 |
| SMILES | CC(=O)OC[C@H]1OC2O[C@@H]3[C@@H](COC(C)=O)OC(O[C@@H]4[C@@H](CO)OC(O[C@@H]5[C@@H](CO)OC(O[C@@H]6[C@@H](CO)OC(O[C@@H]7[C@@H](CO)OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shishido TK; Jokela J; Kolehmainen CT; Fewer DP; Wahlsten M; Wang H; Rouhiainen L; Rizzi E; De Bellis G; Permi P; Sivonen K Antifungal activity improved by coproduction of cyclodextrins and anabaenolysins in Cyanobacteria. Proceedings of the National Academy of Sciences of the United States of America 2015 112 (44) 13669-13674. | ||
|---|---|---|---|
| DOI | 10.1073/pnas.1510432112 | PMID | 26474830 |
