Mol:FLIAALNP0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -2.0048 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 0.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3359 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2204 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2204 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3359 0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7765 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7765 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3713 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3713 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3359 -0.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5609 0.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 -0.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5609 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5609 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3713 0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3441 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5227 1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5603 -1.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 16 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 14 26 1 0 0 0 0 S SKP 8 ID FLIAALNP0012 KNApSAcK_ID C00009874 NAME Sophoraisoflavone A;Allolicoisoflavone B CAS_RN 117204-81-6 FORMULA C20H16O6 EXACTMASS 352.094688244 AVERAGEMASS 352.33744 SMILES c(c1)c(O)c(C=4)c(OC(C4)(C)C)c1C(C(=O)2)=COc(c3)c2c(cc(O)3)O M END