Mol:FL3FACGS0079
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -2.4937 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4937 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3641 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3641 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 1.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7931 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7931 2.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 -0.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 1.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -0.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 2.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2133 1.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7075 -0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9535 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9215 0.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8126 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 -0.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3313 -0.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0137 -1.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 -2.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5328 -2.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8629 -1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5322 -1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7156 -1.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 -1.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 -1.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 -2.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3267 -2.8200 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 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 18 1 1 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 13 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 21 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 35 39 1 0 0 0 0 34 40 1 0 0 0 0 33 41 1 0 0 0 0 36 32 1 0 0 0 0 S SKP 5 ID FL3FACGS0079 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES c(OC(C(OC(C5O)OCC(C5O)O)4)OC(CO)C(O)C4O)(c(O)1)cc(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc1 M END
</pre>