| Name |
Azaspiracid 13 |
| Formula |
C46H69NO14 |
| Mw |
859.47180592 |
| CAS RN |
1021443-10-6 |
| C_ID |
C00055216
|
| InChIKey |
FPRLKUYZVWNGGA-JYWVRNBOSA-N |
| InChICode |
InChI=1S/C46H69NO14/c1-24-15-35-40-37(22-44(59-40)27(4)14-25(2)23-47-44)57-43(19-24,56-35)20-26(3)39-29(6)32(49)21-45(53,60-39)41(52)36-18-34-33(54-36)16-28(5)46(58-34)13-12-42(61-46)11-7-8-31(55-42)10-9-30(48)17-38(50)51/h7-10,24-25,27-37,39-41,47-49,52-53H,3,11-23H2,1-2,4-6H3,(H,50,51)/b10-9+/t24-,25+,27-,28+,29-,30?,31-,32-,33+,34+,35+,36-,37+,39+,40+,41+,42-,43-,44-,45+,46+/m0/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(CC=C[C@@H](/C=C/C(O)CC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)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) |
|---|
|
