| Name |
Azaspiracid 16 |
| Formula |
C48H73NO14 |
| Mw |
887.50310605 |
| CAS RN |
1021443-14-0 |
| C_ID |
C00055219
|
| InChIKey |
MGXYNPVHPDXITL-QDIGWYGXSA-N |
| InChICode |
InChI=1S/C48H73NO14/c1-24-14-33(10-9-32(50)17-39(51)52)57-44(19-24)11-12-47(63-44)29(6)16-34-35(60-47)18-37(56-34)43(54)48(55)31(8)40(53)30(7)41(62-48)27(4)21-45-20-25(2)15-36(58-45)42-38(59-45)22-46(61-42)28(5)13-26(3)23-49-46/h9-10,14,25-26,28-38,40-43,49-50,53-55H,4,11-13,15-23H2,1-3,5-8H3,(H,51,52)/b10-9+/t25-,26+,28-,29+,30-,31+,32?,33+,34+,35+,36+,37-,38+,40+,41+,42+,43+,44+,45-,46-,47+,48+/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[C@@H](/C=C/C(O)CC(=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) |
|---|
|
