| Name |
Azaspiracid 12 |
| Formula |
C48H73NO13 |
| Mw |
871.50819143 |
| CAS RN |
629656-65-1 |
| C_ID |
C00055215
|
| InChIKey |
RZWIHONUPBZLAC-DCNSMOOBSA-N |
| InChICode |
InChI=1S/C48H73NO13/c1-25-16-33(11-9-10-12-39(50)51)56-44(20-25)13-14-47(62-44)30(6)18-34-35(59-47)19-37(55-34)43(53)48(54)32(8)40(52)31(7)41(61-48)28(4)22-45-21-26(2)17-36(57-45)42-38(58-45)23-46(60-42)29(5)15-27(3)24-49-46/h9,11,20,26-27,29-38,40-43,49,52-54H,4,10,12-19,21-24H2,1-3,5-8H3,(H,50,51)/b11-9+/t26-,27+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38+,40-,41-,42+,43+,44-,45-,46-,47-,48-/m1/s1 |
| SMILES |
C=C(C[C@]12C[C@H](C)C[C@H](O1)[C@@H]1O[C@@]3(C[C@@H]1O2)NC[C@@H](C)C[C@H]3C)[C@H]1O[C@@](O)([C@@H](O)[C@H]2C[C@@H]3O[C@@]4(CC[C@]5(C=C(C)C[C@@H](/C=C/CCC(=O)O)O5)O4)[C@@H](C)C[C@@H]3O2)[C@H](C)[C@H](O)[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Mytilus edulis  | Ref. |
|
|
zoom in
| Organism | Mytilus edulis |
|---|
| Reference | Satake, M. et al., JACS, 1998, 120, 9967-9968 (Azaspiracid 1) |
|---|
|
