input word = C00008524

Metabolite InformationStructural formula
Name Leachianone C
Formula C39H38O9
Mw 650.25158281
CAS RN 138870-70-9
C_ID C00008524 ,
InChIKey WJMIBUBZXMRJRI-UHFFFAOYNA-N
InChICode InChI=1S/C39H38O9/c1-19(2)5-8-22-13-28-34(48-39(22,3)4)18-31(45)36-30(44)17-32(47-38(28)36)26-15-27-33(16-29(26)43)46-37(20-6-9-23(40)10-7-20)35(27)21-11-24(41)14-25(42)12-21/h5-7,9-12,14-16,18,22,32,35,37,40-43,45H,8,13,17H2,1-4H3/t22-,32+,35+,37-/m0/s1
SMILES CC(C)=CCC1Cc2c(cc(O)c3c2OC(c2cc4c(cc2O)OC(c2ccc(O)cc2)C4c2cc(O)cc(O)c2)CC3=O)OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora leachiana Ref.
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