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 C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@]2(OC(C)=O)[C@@H]2OC(=O)[C@@](C)(O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula penninervis Ref.
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OrganismFerula penninervis
ReferenceShikishima,J.Nat.Prod.,65,(2002),1897