input word = C00014270

Metabolite InformationStructural formula
Name Alopecurone F
Formula C34H30O9
Mw 582.18898256
CAS RN 162558-92-1
C_ID C00014270 ,
InChIKey WQIMBMVBFTYBSK-XTFKVZOZNA-N
InChICode InChI=1S/C34H30O9/c1-16(2)3-9-24-33-29(26(40)15-27(42-33)23-10-8-20(36)14-25(23)39)31(41)30-28(18-11-21(37)13-22(38)12-18)32(43-34(24)30)17-4-6-19(35)7-5-17/h3-8,10-14,27-28,32,35-39,41H,9,15H2,1-2H3/t27-,28-,32-/m0/s1
SMILES CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)[C@H]3c1cc(O)cc(O)c1)C(=O)C[C@@H](c1ccc(O)cc1O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora alopecuroides Ref.
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