input word = C00009564

Metabolite InformationStructural formula
Name Isosophoranone
Formula C26H30O6
Mw 438.20423869
CAS RN 64280-18-8
C_ID C00009564 ,
InChIKey ARNVYCOTFWJTBS-UHFFFAOYNA-N
InChICode InChI=1S/C26H30O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3/t19-/m0/s1
SMILES COc1c(C2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)ccc(O)c1CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora tomentosa Ref.
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