| Name |
Ergocristinine |
| Formula |
C35H39N5O5 |
| Mw |
609.29511939 |
| CAS RN |
511-07-9 |
| C_ID |
C00011232
, 
|
| InChIKey |
HEFIYUQVAZFDEE-PGRKQSTINA-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-/m0/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]2Cc2ccccc2)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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