Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027366
PROPERTIES
| NPAID | NPA027366 |
|---|---|
| CLUSTER ID | 7432 |
| NODE ID | 5083 |
| NAME | Ankaraholide A |
| FORMULA | C90H152O28 |
| MOLECULAR WEIGHT (Da) | 1682.1780 |
| ACCURATE MASS (Da) | 1681.0470 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Geitlerinema |
| ORIGIN SPECIES | sp. |
| InChIKey | PMOHGLKKBUNONX-PTYDLKIRSA-N |
| InChI | InChI=1S/C90H152O28/c1-51-25-31-69(115-89-87(107-17)85(105-15)77(95)49-109-89)43-63-21-19-23-65(113-63)45-73(103-13)40-62(92)42-76(94)58(8)84(60(10)82(100)54(4)30-34-68-48-72(102-12)38-56(6)112-68)118-80(98)36-28-52(2)26-32-70(116-90-88(108-18)86(106-16)78(96)50-110-90)44-64-22-20-24-66(114-64)46-74(104-14)39-61(91)41-75(93)57(7)83(117-79(97)35-27-51)59(9)81(99)53(3)29-33-67-47-71(101-11)37-55(5)111-67/h19-22,25-28,35-36,53-78,81-96,99-100H,23-24,29-34,37-50H2,1-18H3/b35-27-,36-28+,51-25+,52-26-/t53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71+,72+,73+,74+,75+,76+,77-,78-,81-,82-,83-,84-,85+,86+,87+,88+,89+,90+/m0/s1 |
| SMILES | CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C\C(C)=C\C[C@H](O[C@H]3OC[C@H](O)[C@@H](OC)[C@H]3OC)C[C@@H]3C=CC[C@@H](C[C@H](OC)C[C@@H](O)C[C@@H](O)[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)OC(=O)/C=C/C(C)=C\C[C@H](O[C@H]4OC[C@H](O)[C@@H](OC)[C@H]4OC)C[C@@H]4C=CC[C@@H](C[C@H](OC)C[C@@H](O)C[C@@H](O)[C@@H]2C)O4)O3)C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Andrianasolo EH; Gross H; Goeger D; Musafija-Girt M; McPhail K; Leal RM; Mooberry SL; Gerwick WH Isolation of swinholide A and related glycosylated derivatives from two field collections of marine cyanobacteria. Organic Letters 2005 7 (7) 1375-1378. | ||
|---|---|---|---|
| DOI | 10.1021/ol050188x | PMID | 15787510 |
