input word = C00006161

Metabolite InformationStructural formula
Name Scoparin 6''-acetate
Formula C24H24O12
Mw 504.12677623
CAS RN 65725-05-5
C_ID C00006161 ,
InChIKey BKIUKNJBJHJNMP-WUUDUIOPNA-N
InChICode InChI=1S/C24H24O12/c1-9(25)34-8-17-20(30)21(31)22(32)24(36-17)19-13(28)6-12(27)18-14(29)7-15(35-23(18)19)10-3-4-11(26)16(5-10)33-2/h3-7,17,20-22,24,26-28,30-32H,8H2,1-2H3/t17-,20+,21-,22+,24-/m0/s1
SMILES c1(cc(c2c(c1[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)C)oc(cc2=O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCytisus scoparius Ref.
--Sarothamnus scoparius Ref.
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