input word = C00008336

Metabolite InformationStructural formula
Name Kushenol B
Formula C30H36O6
Mw 492.25118888
CAS RN 99217-64-8
C_ID C00008336 ,
InChIKey CDNAGJNJVFLMRS-UHFFFAOYNA-N
InChICode InChI=1S/C30H36O6/c1-16(2)7-9-19(18(5)6)13-23-28(34)22(11-8-17(3)4)29(35)27-25(33)15-26(36-30(23)27)21-12-10-20(31)14-24(21)32/h7-8,10,12,14,19,26,31-32,34-35H,5,9,11,13,15H2,1-4,6H3/t19-,26-/m1/s1
SMILES c1(c(c(c2c(c1C[C@@H](CC=C(C)C)C(=C)C)O[C@H](CC2=O)c1ccc(cc1O)O)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora flavescens Ref.
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