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 c12c(cc3c(c1)[nH]c1c3C[C@H]3[C@]1([C@@]1([C@@](CC3)(C3=CC(=O)[C@H]4C(O[C@]3(CC1)O4)(C)C)O)C)C)[C@H]([C@H]1C2=CC(OC1(C)C)(C)C)OC
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium janthinellum Biourge Ref.
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OrganismPenicillium janthinellum Biourge
ReferenceSmetanina,J.Nat.Prod.,70,(2007),906