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 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[C@H]1C2=CC(OC1(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium janthinellum Biourge Ref.
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