input word = C00045941

Metabolite InformationStructural formula
Name Ferupennin J
(+)-Ferupennin J
Formula C21H24O8
Mw 404.14711774
CAS RN 486437-98-3
C_ID C00045941 ,
InChIKey MPVMGEKZWJBZHH-NSMVJHJENA-N
InChICode InChI=1S/C21H24O8/c1-9(2)19(25)27-14-7-12(8-22)16-13(24)6-10(3)15(16)18-17(14)21(5,20(26)28-18)29-11(4)23/h6,14-15,17-18,22H,1,7-8H2,2-5H3/t14-,15+,17+,18-,21-/m0/s1
SMILES C1(=O)[C@]([C@H]2[C@@H](O1)[C@H]1C(=C(C[C@@H]2OC(=O)C(=C)C)CO)C(=O)C=C1C)(OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula penninervis Ref.
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