| Name |
Ergocornine |
| Formula |
C31H39N5O5 |
| Mw |
561.29511939 |
| CAS RN |
564-36-3 |
| C_ID |
C00001719
, 
|
| InChIKey |
UJYGDMFEEDNVBF-MXQISXGANA-N |
| InChICode |
InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1 |
| SMILES |
[C@H]12[C@]3(N([C@H](C(=O)N1CCC2)C(C)C)C(=O)[C@@](O3)(NC(=O)[C@@H]1C=C2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1)C(C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
|
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