Mol:FLIBALNP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.5120 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3993 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3993 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4589 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4589 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0485 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0681 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5117 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5117 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6246 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6246 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0683 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6246 0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 -0.3717 0.0000 C 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 1 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 18 14 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 16 25 1 0 0 0 0 3 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 2 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 S SKP 8 ID FLIBALNP0007 KNApSAcK_ID C00009971 NAME 2,3-Dihydroauriculatin;5,2',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavanone CAS_RN 105594-10-3 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES C(=C1)c(c4O)c(c(CC=C(C)C)c(c42)OCC(c(c3)c(cc(O)c3)O)C2=O)OC1(C)C M END