| Name |
Ergoptine |
| Formula |
C31H39N5O5 |
| Mw |
561.29511939 |
| CAS RN |
29475-05-6 |
| C_ID |
C00011229
, 
|
| InChIKey |
JFRCRHHCXKEHBW-CUYWXPQCNA-N |
| InChICode |
InChI=1S/C31H39N5O5/c1-5-30(29(39)36-24(12-17(2)3)28(38)35-11-7-10-25(35)31(36,40)41-30)33-27(37)19-13-21-20-8-6-9-22-26(20)18(15-32-22)14-23(21)34(4)16-19/h6,8-9,13,15,17,19,23-25,32,40H,5,7,10-12,14,16H2,1-4H3,(H,33,37)/t19-,23-,24+,25+,30-,31+/m1/s1 |
| SMILES |
CC[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)N2C1=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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