Name |
Ergocristine |
Formula |
C35H39N5O5 |
Mw |
609.29511939 |
CAS RN |
511-08-0 |
C_ID |
C00001720
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|
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 |
CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=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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