input word = C00014267

Metabolite InformationStructural formula
Name Alopecurone C
Alopecurone III
Formula C34H30O8
Mw 566.19406794
CAS RN 162558-90-9
C_ID C00014267 ,
InChIKey OEYSIPNWFNKKRF-XTFKVZOZNA-N
InChICode InChI=1S/C34H30O8/c1-17(2)3-12-25-33-29(26(39)16-27(41-33)18-4-8-21(35)9-5-18)31(40)30-28(20-13-23(37)15-24(38)14-20)32(42-34(25)30)19-6-10-22(36)11-7-19/h3-11,13-15,27-28,32,35-38,40H,12,16H2,1-2H3/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)cc1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora alopecuroides Ref.
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