input word = C00051605

Metabolite InformationStructural formula
Name Miliacin
Formula C31H52O
Mw 440.40181628
CAS RN 5945-45-9
C_ID C00051605
InChIKey YZBNXQLCEJJXSC-OQKQXEGDNA-N
InChICode InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3/t21-,23+,24-,25+,28-,29+,30-,31-/m1/s1
SMILES CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C5=CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaePanicum miliaceum Ref.
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