Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027394
PROPERTIES
| NPAID | NPA027394 |
|---|---|
| CLUSTER ID | 8263 |
| NODE ID | 4987 |
| NAME | 6-O-diacetyl(A,B)-β-cyclodextrin |
| FORMULA | C46H74O37 |
| MOLECULAR WEIGHT (Da) | 1219.0610 |
| ACCURATE MASS (Da) | 1218.3909 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. XSPORK2A |
| InChIKey | UCUNWKDZYBIYIT-CHTQTTGYSA-N |
| InChI | InChI=1S/C46H74O37/c1-10(52)68-8-17-38-25(60)32(67)46(76-17)83-39-18(9-69-11(2)53)75-45(31(66)24(39)59)81-37-16(7-51)73-43(29(64)22(37)57)79-35-14(5-49)71-41(27(62)20(35)55)77-33-12(3-47)70-40(26(61)19(33)54)78-34-13(4-48)72-42(28(63)21(34)56)80-36-15(6-50)74-44(82-38)30(65)23(36)58/h12-51,54-67H,3-9H2,1-2H3/t12-,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?,41?,42?,43?,44?,45?,46?/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]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 |
