Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027393
PROPERTIES
| NPAID | NPA027393 |
|---|---|
| CLUSTER ID | 8263 |
| NODE ID | 4987 |
| NAME | 6-O-acetyl-β-cyclodextrin |
| FORMULA | C44H72O36 |
| MOLECULAR WEIGHT (Da) | 1177.0240 |
| ACCURATE MASS (Da) | 1176.3803 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. XSPORK2A |
| InChIKey | HECSPEHQYGRENG-XHEUZJRWSA-N |
| InChI | InChI=1S/C44H72O36/c1-9(51)66-8-16-37-23(58)30(65)44(73-16)79-36-15(7-50)71-42(28(63)21(36)56)77-34-13(5-48)69-40(26(61)19(34)54)75-32-11(3-46)67-38(24(59)17(32)52)74-31-10(2-45)68-39(25(60)18(31)53)76-33-12(4-47)70-41(27(62)20(33)55)78-35-14(6-49)72-43(80-37)29(64)22(35)57/h10-50,52-65H,2-8H2,1H3/t10-,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?,39?,40?,41?,42?,43?,44?/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]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 |
