Mol:FL5FDGGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.4252 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7181 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7181 -0.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7181 -2.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1467 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8749 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8749 1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1467 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 -2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 1.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2097 -0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8749 2.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7373 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9304 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1865 0.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9304 1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7373 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4814 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9399 2.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1438 1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4175 0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1858 -1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 -2.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 1 20 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 23 32 1 0 0 0 0 24 20 1 0 0 0 0 33 34 1 0 0 0 0 8 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 37 M SMT 1 OCH3 M SBV 1 37 -0.7532 0.4349 S SKP 5 ID FL5FDGGS0001 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES Oc(c24)cc(cc2OC(=C(OC)C4=O)c(c3)cc(O)c(O)c(O)3)OC(C1O)OC(C(O)C1O)C M END
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