| Name |
Swinholide I |
| Formula |
C78H132O21 |
| Mw |
1404.92611128 |
| CAS RN |
877822-90-7 |
| C_ID |
C00041901
, 
|
| InChIKey |
XUQRQRKUGBIVEH-ICBQZFRLNA-N |
| InChICode |
InChI=1S/C78H132O21/c1-44-23-28-56(79)36-58-20-18-22-61(97-58)40-71(93-16)51(8)66(82)43-68(84)53(10)78(55(12)76(89)47(4)33-69(85)72-41-64(91-14)35-49(6)95-72)99-74(87)32-26-45(2)24-29-57(80)37-59-19-17-21-60(96-59)39-70(92-15)50(7)65(81)42-67(83)52(9)77(98-73(86)31-25-44)54(11)75(88)46(3)27-30-62-38-63(90-13)34-48(5)94-62/h17-20,23-26,31-32,46-72,75-85,88-89H,21-22,27-30,33-43H2,1-16H3/b31-25+,32-26+,44-23+,45-24+/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-/m0/s1 |
| SMILES |
[C@H]1([C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@H]2O[C@H](C[C@H](C/C=C(/C=C/C(=O)O[C@@H]([C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@H]3O[C@H](C[C@H](C/C=C(/C=C/C(=O)O1)\C)O)C=CC3)OC)C)O)O)C)[C@H]([C@@H](O)[C@@H](C)CC[C@H]1C[C@@H](C[C@@H](O1)C)OC)C)\C)O)C=CC2)OC)C)O)O)C)[C@@H](C)[C@H]([C@H](C[C@H]([C@@H]1O[C@H](C[C@H](C1)OC)C)O)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Theonella swinhoei | Ref. |
|
|
zoom in
| Organism | Theonella swinhoei |
|---|
| Reference | Yousset,J.Nat.Prod.,69,(2006),154 |
|---|
|
