input word = C00041867

Metabolite InformationStructural formula
Name Sinaspirolide
(+)-Sinaspirolide
Formula C24H26O4
Mw 378.18310932
CAS RN 879496-43-2
C_ID C00041867 ,
InChIKey GMWSMENUALPKGU-LTTWALJTNA-N
InChICode InChI=1S/C24H26O4/c1-3-5-13-19-23-15-9-8-14-22(23,21(26)27-19)18(10-4-2)24(23)17-12-7-6-11-16(17)20(25)28-24/h6-8,11-14,18H,3-5,9-10,15H2,1-2H3/b19-13-/t18-,22+,23-,24-/m0/s1
SMILES c1ccc2c(c1)C(=O)O[C@]12[C@@]23CCC=C[C@]3(C(=O)O/C/2=C\CCC)[C@@H]1CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica sinensis Ref.
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OrganismAngelica sinensis
ReferenceDeng,J.Nat.Prod.,69,(2006),536