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=C1[C@@H](OC(C)=O)[C@@]23C(=O)C[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2[C@@H](O)[C@H](O)[C@@H]1C3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon scoparius Ref.
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