| 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 |
C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C |
| 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
| Organism | Mytilus edulis |
|---|
| Reference | Schmitz,F.J.et al.,JACS,103,(1981),2467-2469 |
|---|
|
