input word = C00047258

Metabolite InformationStructural formula
Name Isoscoparin K
(-)-Isoscoparin K
Formula C20H30O5
Mw 350.20932407
CAS RN 1097647-34-1
C_ID C00047258 ,
InChIKey IEMWQOKNVXLTGS-WFDNPLCSNA-N
InChICode InChI=1S/C20H30O5/c1-9-10-7-11(21)15-19(4)12(18(2,3)6-5-13(19)22)8-14(23)20(15,16(9)24)17(10)25/h10-12,14-17,21,23-25H,1,5-8H2,2-4H3/t10-,11-,12+,14+,15-,16+,17+,19-,20+/m0/s1
SMILES [C@@H]1([C@]23[C@@H](C[C@@H]4C(CCC(=O)[C@]4([C@@H]2[C@H](C[C@H]1C(=C)[C@H]3O)O)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon scoparius Ref.
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OrganismIsodon scoparius
ReferenceZhao,J.Nat.Prod.,72,(2009),125