| Name |
5'-epi-beta-Ergocryptine |
| Formula |
C32H41N5O5 |
| Mw |
575.31076946 |
| CAS RN |
97415-41-3 |
| C_ID |
C00011237
, 
|
| InChIKey |
YYWXOXLDOMRDHW-GDYPWXAGNA-N |
| InChICode |
InChI=1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20-,24-,25+,27-,31-,32+/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]2[C@H](C)CC)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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