Mol:FL4DACGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.3504 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3504 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3012 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3012 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9684 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1483 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4761 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5126 -1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 -1.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8716 -1.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -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 6 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 6 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 FL4DACGS0003 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