| Name |
Swinholide E |
| Formula |
C78H132O21 |
| Mw |
1404.92611128 |
| CAS RN |
139178-93-1 |
| C_ID |
C00040423
, 
|
| InChIKey |
OUHHMOKGNAPPAY-RMAJXSOTNA-N |
| InChICode |
InChI=1S/C78H132O21/c1-44-23-28-56(79)36-57-19-17-21-59(96-57)40-71(92-15)50(7)65(80)42-68(83)53(10)78(55(12)76(89)47(4)27-30-62-38-64(91-14)35-49(6)95-62)99-74(87)32-25-45(2)33-69(84)70(85)39-58-20-18-22-60(97-58)41-72(93-16)51(8)66(81)43-67(82)52(9)77(98-73(86)31-24-44)54(11)75(88)46(3)26-29-61-37-63(90-13)34-48(5)94-61/h17-20,23-25,31-33,46-72,75-85,88-89H,21-22,26-30,34-43H2,1-16H3/b31-24-,32-25-,44-23+,45-33+/t46-,47-,48-,49-,50-,51-,52+,53+,54+,55+,56-,57+,58+,59-,60-,61+,62+,63+,64-,65-,66-,67+,68-,69+,70+,71-,72-,75-,76+,77-,78+/m1/s1 |
| SMILES |
C1(=O)/C=C\C(=C\C[C@H](C[C@H]2O[C@@H](C[C@H]([C@@H]([C@@H](C[C@H]([C@@H]([C@H](OC(=O)/C=C\C(=C\[C@@H]([C@H](C[C@H]3O[C@@H](C[C@H]([C@@H]([C@@H](C[C@@H]([C@@H]([C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)CC[C@H]1C[C@H](C[C@H](O1)C)OC)C)O)O)C)OC)CC=C3)O)O)\C)[C@@H](C)[C@@H](O)[C@H](C)CC[C@H]1C[C@@H](C[C@H](O1)C)OC)C)O)O)C)OC)CC=C2)O)\C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Theonella swinhoei | Ref. |
|
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