Mol:091 FLII
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.2144 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2144 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5002 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5002 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0164 1.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5013 1.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0164 2.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0711 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5013 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5013 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 1 0 8 9 1 0 1 9 1 0 2 7 1 0 1 2 2 0 4 10 1 0 10 11 2 0 11 12 1 0 5 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 18 19 1 0 16 20 1 0 15 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 S SKP 5 ID 091 FLII FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES CC(C)=CCc(c(O)4)cc(c(O)c4)c(c1)oc(c2)c(cc(O3)c(OC3)2)1 M END