input word = C00040289

Metabolite InformationStructural formula
Name Shearinine F
(+)-Shearinine F
Formula C37H45NO5
Mw 583.32977355
CAS RN 925427-36-7
C_ID C00040289 ,
InChIKey QYRAHJVRFPJIQW-ZOKLFSMCNA-N
InChICode InChI=1S/C37H45NO5/c1-31(2)18-24-21-16-26-22(13-19(21)14-25(24)32(3,4)42-31)23-15-20-9-10-36(40)28-17-27(39)30-33(5,6)43-37(28,41-30)12-11-34(36,7)35(20,8)29(23)38-26/h13,16-17,20,30,38,40H,9-12,14-15,18H2,1-8H3/t20-,30-,34+,35+,36+,37-/m0/s1
SMILES CC1(C)CC2=C(Cc3cc4c5c([nH]c4cc32)[C@@]2(C)[C@@H](CC[C@@]3(O)C4=CC(=O)[C@@H]6O[C@@]4(CC[C@@]32C)OC6(C)C)C5)C(C)(C)O1
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