input word = C00045936

Metabolite InformationStructural formula
Name Ferupennin E
(-)-Ferupennin E
Formula C22H26O8
Mw 418.16276781
CAS RN 486437-93-8
C_ID C00045936 ,
InChIKey YQABOFISFLOPAF-PENMMURENA-N
InChICode InChI=1S/C22H26O8/c1-9-7-13(24)15-10(2)8-14(27-19(25)21(5)11(3)29-21)17-18(16(9)15)28-20(26)22(17,6)30-12(4)23/h7,11,14,16-18H,8H2,1-6H3/t11-,14+,16-,17-,18+,21+,22+/m1/s1
SMILES CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(=O)C3(C)OC3C)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula penninervis Ref.
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