input word = C00047254

Metabolite InformationStructural formula
Name Isoscoparin F
(+)-Isoscoparin F
Formula C22H32O6
Mw 392.21988875
CAS RN 1097647-29-4
C_ID C00047254 ,
InChIKey BCMXEXLNZDMRBV-LHKOTVBYNA-N
InChICode InChI=1S/C22H32O6/c1-10-14-15(25)16(26)17-21(5)8-6-7-20(3,4)12(21)9-13(24)22(17,18(14)27)19(10)28-11(2)23/h12,14-19,25-27H,1,6-9H2,2-5H3/t12-,14+,15-,16+,17+,18+,19-,21-,22-/m1/s1
SMILES [C@H]1([C@@]23C(=O)C[C@@H]4C(CCC[C@]4([C@@H]2[C@H]([C@@H]([C@@H]1C(=C)[C@H]3OC(=O)C)O)O)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon scoparius Ref.
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