input word = C00045063

Metabolite InformationStructural formula
Name Scopanolal
(-)-Scopanolal
Formula C27H36O4
Mw 424.26135964
CAS RN 578714-92-8
C_ID C00045063 ,
InChIKey IQFDAOLIRBRVJU-DAIPCRNUNA-N
InChICode InChI=1S/C27H36O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,16,22-24,29H,2,8,11-12,14-15,17-18H2,1,3-4H3/b19-13+/t22-,23-,24+,26+,27-/m1/s1
SMILES C1(=C)C[C@H]([C@@H]2[C@@]([C@@H]1CC/C(=C/C=O)/C)(CCC[C@]2(CO)C)C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeScoparia dulcis Ref.
zoom in



OrganismScoparia dulcis
ReferenceAhsan,J.Nat.Prod.,66,(2003),958