input word = C00045940

Metabolite InformationStructural formula
Name Ferupennin I
(+)-Ferupennin I
Formula C22H26O8
Mw 418.16276781
CAS RN 486437-97-2
C_ID C00045940 ,
InChIKey DITPMESACDRAQN-VRRMURNONA-N
InChICode InChI=1S/C22H26O8/c1-6-10(2)20(26)28-15-7-11(3)16-14(25)8-13(9-23)17(16)19-18(15)22(5,21(27)29-19)30-12(4)24/h6,8,15,17-19,23H,7,9H2,1-5H3/b10-6-/t15-,17+,18+,19-,22-/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)C)C1=O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula penninervis Ref.
zoom in



OrganismFerula penninervis
ReferenceShikishima,J.Nat.Prod.,65,(2002),1897