| Name |
Gambieric acid B |
| Formula |
C60H94O16 |
| Mw |
1070.65418696 |
| CAS RN |
141363-65-7 |
| C_ID |
C00016807
, 
|
| InChIKey |
PLNXKBYHTXJJIY-MHXNSAEONA-N |
| InChICode |
InChI=1S/C60H94O16/c1-31(19-32(2)29-61)20-42-34(4)22-48-57(8,75-42)28-45-54(72-48)55(65)60(11)50(70-45)27-44-53(76-60)33(3)13-12-14-40-39(68-44)15-16-46-58(9,73-40)30-59(10)49(71-46)26-43-41(74-59)17-18-56(7,66)47(69-43)25-37(62)24-38-21-35(5)52(67-38)36(6)23-51(63)64/h12-13,19,32-33,35-50,52-55,61-62,65-66H,4,14-18,20-30H2,1-3,5-11H3,(H,63,64)/b13-12-,31-19+/t32-,33+,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45-,46-,47+,48-,49+,50+,52+,53+,54+,55+,56-,57+,58+,59-,60-/m1/s1 |
| SMILES |
C=C1C[C@H]2O[C@@H]3[C@@H](C[C@]2(C)O[C@@H]1C/C(C)=C/[C@@H](C)CO)O[C@H]1C[C@H]2O[C@H]4CC[C@H]5O[C@H]6C[C@H]7O[C@@H](C[C@H](O)C[C@@H]8C[C@@H](C)[C@@H]([C@@H](C)CC(=O)O)O8)[C@](C)(O)CC[C@@H]7O[C@]6(C)C[C@]5(C)O[C@@H]4C/C=C[C@H](C)[C@@H]2O[C@]1(C)[C@H]3O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Gambierdiscus toxicus | Ref. |
|
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