| Name |
Ergocristine |
| Formula |
C35H39N5O5 |
| Mw |
609.29511939 |
| CAS RN |
511-08-0 |
| C_ID |
C00001720
, 
|
| InChIKey |
HEFIYUQVAZFDEE-XIFGRCNQNA-N |
| InChICode |
InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1 |
| SMILES |
[C@H]12[C@]3(N([C@H](C(=O)N1CCC2)Cc1ccccc1)C(=O)[C@@](O3)(NC(=O)[C@@H]1C=C2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1)C(C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro L-Ala IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps grohii | Ref. |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
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