| Name |
Okadaic acid |
| Formula |
C44H68O13 |
| Mw |
804.46599226 |
| CAS RN |
78111-17-8 |
| C_ID |
C00039897
, 
|
| InChIKey |
QNDVLZJODHBUFM-FOAWSUFPNA-N |
| InChICode |
InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,41-,42+,43-,44-/m1/s1 |
| SMILES |
C1CO[C@@]2(CC1)O[C@@H]([C@@H](CC2)C)[C@H](C[C@@H]([C@H]1O[C@H]2[C@@H]([C@@H](C1=C)O)O[C@@]1(CC2)CC[C@@H](O1)/C=C/[C@H]([C@@H]1CC(=C[C@]2(O1)O[C@@H](CC[C@H]2O)C[C@@](C(=O)O)(C)O)C)C)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Halichondriidae | Halichondria melanodocia | Ref. |
| Animalia | Halichondriidae | Halichondria oladai | Ref. |
| - | - | Mytilus edulis  | Ref. |
|
|
zoom in
|
