input word = C00040288

Metabolite InformationStructural formula
Name Shearinine E
(+)-Shearinine E
Formula C38H47NO6
Mw 613.34033824
CAS RN 925427-35-6
C_ID C00040288 ,
InChIKey BIMXPAWGXRZQSK-FFGZVVBMNA-N
InChICode InChI=1S/C38H47NO6/c1-32(2)18-24-20-16-25-21(15-22(20)29(42-9)28(24)33(3,4)44-32)23-14-19-10-11-37(41)27-17-26(40)31-34(5,6)45-38(27,43-31)13-12-35(37,7)36(19,8)30(23)39-25/h15-19,28-29,31,39,41H,10-14H2,1-9H3/t19-,28+,29+,31-,35+,36+,37+,38-/m0/s1
SMILES CO[C@@H]1c2cc3c4c([nH]c3cc2C2=CC(C)(C)OC(C)(C)[C@H]21)[C@@]1(C)[C@@H](CC[C@@]2(O)C3=CC(=O)[C@@H]5O[C@@]3(CC[C@@]21C)OC5(C)C)C4
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium janthinellum Biourge Ref.
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