Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027385
PROPERTIES
| NPAID | NPA027385 |
|---|---|
| CLUSTER ID | 8263 |
| NODE ID | 4987 |
| NAME | 6-O-acetyl-α-cyclodextrin |
| FORMULA | C38H62O31 |
| MOLECULAR WEIGHT (Da) | 1014.8830 |
| ACCURATE MASS (Da) | 1014.3275 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. XSPORK2A |
| InChIKey | YWBCZVONXLGWHV-SDVIBVGKSA-N |
| InChI | InChI=1S/C38H62O31/c1-8(44)57-7-14-32-20(50)26(56)38(63-14)68-31-13(6-43)61-36(24(54)18(31)48)66-29-11(4-41)59-34(22(52)16(29)46)64-27-9(2-39)58-33(21(51)15(27)45)65-28-10(3-40)60-35(23(53)17(28)47)67-30-12(5-42)62-37(69-32)25(55)19(30)49/h9-43,45-56H,2-7H2,1H3/t9-,10-,11-,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?/m1/s1 |
| SMILES | CC(=O)OC[C@H]1OC2O[C@@H]3[C@@H](CO)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 |
