input word = C00047252

Metabolite InformationStructural formula
Name Isoscoparin D
(+)-Isoscoparin D
Formula C20H28O6
Mw 364.18858863
CAS RN 1097647-27-2
C_ID C00047252 ,
InChIKey JLPIBPUFZAMVBA-CCMPASCTNA-N
InChICode InChI=1S/C20H28O6/c1-17(2)5-4-6-18(3)9(17)7-10(21)20-14(18)13(23)12(22)11(15(20)24)19(8-26-19)16(20)25/h9-12,14-15,21-22,24H,4-8H2,1-3H3/t9-,10-,11-,12-,14+,15-,18-,19-,20+/m1/s1
SMILES C1[C@@]2([C@@H](C(CC1)(C)C)C[C@H]([C@@]13[C@H]2C(=O)[C@@H]([C@@H]([C@@]2(C1=O)CO2)[C@H]3O)O)O)C
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