| Name |
Misakinolide A |
| Formula |
C74H128O20 |
| Mw |
1336.89989653 |
| CAS RN |
105304-96-9 |
| C_ID |
C00039777
, 
|
| InChIKey |
CNXAVQHYRALFDY-FPEVTUDGNA-N |
| InChICode |
InChI=1S/C74H128O20/c1-41(25-29-59-35-61(85-13)31-45(5)89-59)69(81)51(11)71-49(9)65(79)39-63(77)47(7)67(87-15)37-57-21-18-20-56(92-57)34-54(76)28-24-44(4)74(84)94-72(52(12)70(82)42(2)26-30-60-36-62(86-14)32-46(6)90-60)50(10)66(80)40-64(78)48(8)68(88-16)38-58-22-17-19-55(91-58)33-53(75)27-23-43(3)73(83)93-71/h17-20,23-24,41-42,45-72,75-82H,21-22,25-40H2,1-16H3/b43-23+,44-24+/t41-,42-,45-,46-,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-/m0/s1 |
| SMILES |
[C@@H]12C=CC[C@H](O1)C[C@H](OC)[C@H]([C@H](C[C@H]([C@@H]([C@H](OC(=O)/C(=C/C[C@@H](C[C@@H]1C=CC[C@H](O1)C[C@H](OC)[C@H]([C@H](C[C@H]([C@@H]([C@H](OC(=O)/C(=C/C[C@@H](C2)O)/C)[C@H]([C@H]([C@H](CC[C@@H]1O[C@H](C[C@H](C1)OC)C)C)O)C)C)O)O)C)O)/C)[C@H]([C@H]([C@H](CC[C@@H]1O[C@H](C[C@H](C1)OC)C)C)O)C)C)O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Theonella swinhoei | Ref. |
|
|
zoom in
| Organism | Theonella swinhoei |
|---|
| Reference | Wegerski,J.Nat.Prod.,70,(2007),89 |
|---|
|
