| Name |
Ergocorninine |
| Formula |
C31H39N5O5 |
| Mw |
561.29511939 |
| CAS RN |
564-37-4 |
| C_ID |
C00011230
, 
|
| InChIKey |
UJYGDMFEEDNVBF-ZNKLFEJQNA-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-/m0/s1 |
| SMILES |
c1c2c3c(cc1)C1=C[C@@H](CN([C@@H]1Cc3c[nH]2)C)C(=O)N[C@]1(C(=O)N2[C@@](O1)([C@H]1N(C(=O)[C@@H]2C(C)C)CCC1)O)C(C)C |
| 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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