| Name |
O-12'-Methyl-alpha-ergokryptine |
| Formula |
C33H43N5O5 |
| Mw |
589.32641952 |
| CAS RN |
|
| C_ID |
C00011235
, 
|
| InChIKey |
IBKONBFVCDMGDA-TZWMYICKNA-N |
| InChICode |
InChI=1S/C33H43N5O5/c1-18(2)13-26-30(40)37-12-8-11-27(37)33(42-6)38(26)31(41)32(43-33,19(3)4)35-29(39)21-14-23-22-9-7-10-24-28(22)20(16-34-24)15-25(23)36(5)17-21/h7,9-10,14,16,18-19,21,25-27,34H,8,11-13,15,17H2,1-6H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1 |
| SMILES |
CO[C@@]12O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N1[C@@H](CC(C)C)C(=O)N1CCC[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
|
|
zoom in
|
