| Name |
Ergosinine
Ergoclavinine |
| Formula |
C30H37N5O5 |
| Mw |
547.27946933 |
| CAS RN |
596-88-3 |
| C_ID |
C00011224
, 
|
| InChIKey |
NESVMZOPWPCFAU-ZPWLOIKUNA-N |
| InChICode |
InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1 |
| SMILES |
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)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)
Berde,Handbook of Experimental Pharmacology,Springer-Verlag New York,(1978) |
|---|
|
