input word = C00051944

Metabolite InformationStructural formula
Name Shearinine K
Formula C37H47NO4
Mw 569.350509
CAS RN
C_ID C00051944
InChIKey
InChICode InChI=1S/C37H47NO4/c1-21(2)9-11-23-17-26-27-19-25-13-14-36(40)30-20-29(39)32-33(5,6)42-37(30,41-32)16-15-34(36,7)35(25,8)31(27)38-28(26)18-24(23)12-10-22(3)4/h9-10,17-18,20,25,32,38,40H,11-16,19H2,1-8H3/t25-,32-,34+,35+,36+,37-/m0/s1
SMILES C1=C2[C@@]3(OC([C@H](C1=O)O3)(C)C)CC[C@]1([C@]2(CC[C@@H]2[C@@]1(c1c(C2)c2c([nH]1)cc(c(c2)CC=C(C)C)CC=C(C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium janthinellum Ref.
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