input word = C00045945

Metabolite InformationStructural formula
Name Ferupennin N
(+)-Ferupennin N
Formula C21H24O8
Mw 404.14711774
CAS RN 486438-02-2
C_ID C00045945 ,
InChIKey DXHIVNWIHOBUGD-VWWLLIANNA-N
InChICode InChI=1S/C21H24O8/c1-9(2)18(24)27-14-7-10(3)15-13(23)8-11(4)21(15,29-12(5)22)17-16(14)20(6,26)19(25)28-17/h8,14,16-17,26H,1,7H2,2-6H3/t14-,16+,17+,20-,21-/m0/s1
SMILES C1=C([C@@]2(C(=C(C[C@@H]([C@@H]3[C@H]2OC(=O)[C@]3(O)C)OC(=O)C(=C)C)C)C1=O)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula penninervis Ref.
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