Mol:FLIAAANP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.5748 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3496 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3496 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 1.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2065 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2065 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8012 -0.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8012 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 -0.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1309 1.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9908 -0.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 -1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 -0.5184 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 19 14 1 0 0 0 0 15 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 20 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 3 25 1 0 0 0 0 S SKP 8 ID FLIAAANP0007 KNApSAcK_ID C00009873 NAME Isoderrone;5,7-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone CAS_RN 121747-89-5 FORMULA C20H16O5 EXACTMASS 336.099773622 AVERAGEMASS 336.33804000000003 SMILES c(c12)(ccc(C(C(=O)3)=COc(c4)c3c(cc(O)4)O)c2)OC(C=C1)(C)C M END