Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027396
PROPERTIES
| NPAID | NPA027396 |
|---|---|
| CLUSTER ID | 8263 |
| NODE ID | 4987 |
| NAME | 6-O-triacetyl(A,B,E)-β-cyclodextrin |
| FORMULA | C48H76O38 |
| MOLECULAR WEIGHT (Da) | 1261.0980 |
| ACCURATE MASS (Da) | 1260.4015 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. XSPORK2A |
| InChIKey | GBARYFASYLCMEH-BWHFUXPYSA-N |
| InChI | InChI=1S/C48H76O38/c1-11(53)70-8-18-39-25(60)32(67)46(77-18)82-37-16(6-51)73-42(28(63)21(37)56)81-36-15(5-50)76-45(31(66)24(36)59)85-40-19(9-71-12(2)54)79-48(34(69)27(40)62)86-41-20(10-72-13(3)55)78-47(33(68)26(41)61)83-38-17(7-52)74-43(29(64)22(38)57)80-35-14(4-49)75-44(84-39)30(65)23(35)58/h14-52,56-69H,4-10H2,1-3H3/t14-,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?,43?,44?,45?,46?,47?,48?/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](COC(C)=O)OC(O[C@@H]6[C@@H](COC(C)=O)OC(O[C@@H]7[C@@H](CO)OC(O[C@@H]8[C@@H](CO)OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[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 |
