Mol:FL4DACGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.3195 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6053 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6053 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3195 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3322 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3322 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1793 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6053 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7593 -1.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5573 -1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1765 -1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6345 -1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7108 -1.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 1 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 17 2 0 0 0 0 17 12 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 19 1 0 0 0 0 S SKP 5 ID FL4DACGS0004 FORMULA C20H20O11 EXACTMASS 436.100561482 AVERAGEMASS 436.3662 SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O M END