Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027389
PROPERTIES
| NPAID | NPA027389 |
|---|---|
| CLUSTER ID | 8263 |
| NODE ID | 4987 |
| NAME | 6-O-triacetyl(A,C,E)-α-cyclodextrin |
| FORMULA | C42H66O33 |
| MOLECULAR WEIGHT (Da) | 1098.9570 |
| ACCURATE MASS (Da) | 1098.3486 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. XSPORK2A |
| InChIKey | ZWWTTYVCIMKBRR-YFUQKLGGSA-N |
| InChI | InChI=1S/C42H66O33/c1-10(46)61-7-16-34-22(52)28(58)40(67-16)70-31-13(4-43)65-38(26(56)20(31)50)74-35-17(8-62-11(2)47)69-42(30(60)24(35)54)72-33-15(6-45)66-39(27(57)21(33)51)75-36-18(9-63-12(3)48)68-41(29(59)23(36)53)71-32-14(5-44)64-37(73-34)25(55)19(32)49/h13-45,49-60H,4-9H2,1-3H3/t13-,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?,41?,42?/m1/s1 |
| SMILES | CC(=O)OC[C@H]1OC2O[C@@H]3[C@@H](CO)OC(O[C@@H]4[C@@H](COC(C)=O)OC(O[C@@H]5[C@@H](CO)OC(O[C@@H]6[C@@H](COC(C)=O)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 |
