| Name |
Ergocristam |
| Formula |
C35H39N5O4 |
| Mw |
593.30020477 |
| CAS RN |
50868-53-6 |
| C_ID |
C00039138
, 
|
| InChIKey |
KMDKLWZQLMBIBS-CRELTTEONA-N |
| InChICode |
InChI=1S/C35H39N5O4/c1-20(2)31(35(44)40-29(15-21-9-5-4-6-10-21)33(42)39-14-8-13-27(39)34(40)43)37-32(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-28(25)38(3)19-23/h4-7,9-12,16,18,20,23,27-29,31,36H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28-,29+,31+/m1/s1 |
| SMILES |
C1=C2[C@H](N(C[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N1[C@H](C(=O)N3[C@@H](C1=O)CCC3)Cc1ccccc1)C)Cc1c3c2cccc3[nH]c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro Anthranilate L-Ala IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps grohii | Ref. |
|
|
zoom in
| Organism | Claviceps grohii |
|---|
| Reference | Pazoutova,J.Nat.Prod.,71,(2008),1085 |
|---|
|
