input word = C00040286

Metabolite InformationStructural formula
Name Shearinine A
(+)-Shearinine A
Formula C37H45NO5
Mw 583.32977355
CAS RN 163136-24-1
C_ID C00040286 ,
InChIKey YAGQIZPAJNEIKG-QKPDMQANNA-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/h13,16-18,20,25,30,38,40H,9-12,14-15H2,1-8H3/t20-,25-,30-,34+,35+,36+,37-/m0/s1
SMILES CC1(C)C=C2c3cc4[nH]c5c(c4cc3C[C@@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4O[C@@]3(CC[C@]2(C)[C@@]51C)OC4(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium janthinellum Biourge Ref.
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OrganismPenicillium janthinellum Biourge
ReferenceSmetanina,J.Nat.Prod.,70,(2007),906