Mol:FL4DACGS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.3511 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9228 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9228 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4943 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4943 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9691 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1476 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4294 -1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -1.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8102 -1.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6082 -1.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2399 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2274 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6647 -1.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8648 -0.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 -1.2483 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 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 FL4DACGS0002 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
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