| 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 |
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]2CC)CCC1)O)C(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro L-Ala IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
|
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