input word = C00047259

Metabolite InformationStructural formula
Name Isoscoparin L
(-)-Isoscoparin L
Formula C20H30O4
Mw 334.21440945
CAS RN 1097647-35-2
C_ID C00047259 ,
InChIKey UWJKFPFMTSZKRY-NPJCJMGTNA-N
InChICode InChI=1S/C20H30O4/c1-10-15-11(21)8-13-19(4)7-5-6-18(2,3)12(19)9-14(22)20(13,16(10)23)17(15)24/h11-15,17,21-22,24H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15+,17+,19+,20-/m0/s1
SMILES [C@@H]1([C@]23[C@@H](C[C@@H]4C(CCC[C@]4([C@@H]2C[C@@H]([C@H]1C(=C)C3=O)O)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon scoparius Ref.
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