input word = C00047255

Metabolite InformationStructural formula
Name Isoscoparin G
(+)-Isoscoparin G
Formula C21H32O6
Mw 380.21988875
CAS RN 1097647-30-7
C_ID C00047255 ,
InChIKey KDEJNCGOUVGNNS-BJSBSRMTNA-N
InChICode InChI=1S/C21H32O6/c1-19(10-22)5-4-6-20(2)14(19)8-15(24)21-16(20)13(23)7-11(17(21)25)12(9-27-3)18(21)26/h11-12,14-17,22,24-25H,4-10H2,1-3H3/t11-,12+,14+,15+,16-,17+,19+,20+,21-/m0/s1
SMILES [C@@H]1([C@]23[C@@H](C[C@@H]4[C@@](CCC[C@]4([C@@H]2C(=O)C[C@H]1[C@H](C3=O)COC)C)(C)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon scoparius Ref.
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