input word = C00022744

Metabolite InformationStructural formula
Name Scoparinol
Formula C27H38O4
Mw 426.2770097
CAS RN 130838-00-5
C_ID C00022744 ,
InChIKey WGSYIFPPMZUQAN-ASBSWEEPNA-N
InChICode InChI=1S/C27H38O4/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/h5-7,9-10,13,22-24,28-29H,2,8,11-12,14-18H2,1,3-4H3/b19-13+/t22-,23+,24-,26-,27+/m0/s1
SMILES C=C1C[C@@H](OC(=O)c2ccccc2)C2[C@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeScoparia dulcis Ref.
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OrganismScoparia dulcis
ReferenceAhmed,Phytochem.,29,(1990),3035