input word = C00009931

Metabolite InformationStructural formula
Name Lupinisolone A
Formula C25H26O6
Mw 422.17293856
CAS RN 121747-96-4
C_ID C00009931 ,
InChIKey CDLIAMHAUSAXIS-UHFFFAOYNA-N
InChICode InChI=1S/C25H26O6/c1-13(2)5-6-15-9-14(7-8-18(15)26)17-12-30-20-11-19-16(23(28)22(20)24(17)29)10-21(27)25(3,4)31-19/h5,7-9,11-12,21,26-28H,6,10H2,1-4H3/t21-/m1/s1
SMILES CC(C)=CCc1cc(-c2coc3cc4c(c(O)c3c2=O)CC(O)C(C)(C)O4)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLupinus albus Ref.
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