input word = C00045942

Metabolite InformationStructural formula
Name Ferupennin K
(-)-Ferupennin K
Formula C21H24O8
Mw 404.14711774
CAS RN 486437-99-4
C_ID C00045942 ,
InChIKey SGOTVEBFZHNFHE-GRDGPAKENA-N
InChICode InChI=1S/C21H24O8/c1-9(2)19(25)27-14-6-10(3)15-13(24)7-12(8-22)16(15)18-17(14)21(5,20(26)28-18)29-11(4)23/h7,14,16-18,22H,1,6,8H2,2-5H3/t14-,16+,17+,18-,21-/m0/s1
SMILES C1=C([C@@H]2C(=C(C[C@@H]([C@@H]3[C@H]2OC(=O)[C@]3(OC(=O)C)C)OC(=O)C(=C)C)C)C1=O)CO
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