| Name |
Brevetoxin B |
| Formula |
C50H70O14 |
| Mw |
894.47655695 |
| CAS RN |
79580-28-2 |
| C_ID |
C00042301
, 
|
| InChIKey |
LYTCVQQGCSNFJU-KTKRTIGZNA-N |
| InChICode |
InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32-,33+,34-,35-,36+,37+,38-,39+,40+,41-,42+,44+,45-,46+,47+,48-,49+,50-/m1/s1 |
| SMILES |
C=C(C=O)CC1CC(O)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(C)=CC(=O)OC%11CC%10OC9CC(C)C8OC7CC6OC5(C)C/C=CC4OC3CC2O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Karenia brevis | Ref. |
|
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