input word = C00011230

Metabolite InformationStructural formula
Name Ergocorninine
Formula C31H39N5O5
Mw 561.29511939
CAS RN 564-37-4
C_ID C00011230 ,
InChIKey UJYGDMFEEDNVBF-ZNKLFEJQNA-N
InChICode InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23+,24-,26-,30+,31-/m0/s1
SMILES CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps purpurea Ref.
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