| Name |
Ergobutyrine |
| Formula |
C30H37N5O5 |
| Mw |
547.27946933 |
| CAS RN |
82564-36-1 |
| C_ID |
C00011241
, 
|
| InChIKey |
LWEABIUVMWANJF-IEKMYSFPNA-N |
| InChICode |
InChI=1S/C30H37N5O5/c1-5-22-27(37)34-11-7-10-24(34)30(39)35(22)28(38)29(40-30,16(2)3)32-26(36)18-12-20-19-8-6-9-21-25(19)17(14-31-21)13-23(20)33(4)15-18/h6,8-9,12,14,16,18,22-24,31,39H,5,7,10-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24+,29-,30+/m1/s1 |
| SMILES |
CC[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro L-Ala IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
|
|
zoom in
| Organism | Claviceps purpurea |
|---|
| Reference | Cole,Handbook of Secondary Fungal Metabolites,Volume I,(2003)
Bianchi,J.Nat.Prod.,45,(1982),191 |
|---|
|
