Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027391
PROPERTIES
| NPAID | NPA027391 |
|---|---|
| CLUSTER ID | 8263 |
| NODE ID | 4987 |
| NAME | 6-O-tetraacetyl(A,B,D,E)-α-cyclodextrin |
| FORMULA | C44H68O34 |
| MOLECULAR WEIGHT (Da) | 1140.9940 |
| ACCURATE MASS (Da) | 1140.3592 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. XSPORK2A |
| InChIKey | KOIRDIRHUBAJKP-PPLKITMRSA-N |
| InChI | InChI=1S/C44H68O34/c1-11(47)63-7-17-35-25(55)31(61)43(71-17)77-37-19(9-65-13(3)49)69-41(29(59)23(37)53)74-34-16(6-46)68-40(28(58)22(34)52)76-36-18(8-64-12(2)48)72-44(32(62)26(36)56)78-38-20(10-66-14(4)50)70-42(30(60)24(38)54)73-33-15(5-45)67-39(75-35)27(57)21(33)51/h15-46,51-62H,5-10H2,1-4H3/t15-,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?/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](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]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 |
