Mol:FL3FACGS0071
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.5157 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6277 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6277 0.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0566 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4856 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4856 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 2.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0566 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6277 -1.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2353 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 -1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1085 2.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1634 -1.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5716 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9841 -1.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1914 -1.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0163 -2.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8204 -0.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7826 -0.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1576 -0.1340 0.0000 C 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 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 25 19 1 0 0 0 0 33 34 1 0 0 0 0 S SKP 5 ID FL3FACGS0071 FORMULA C22H20O12 EXACTMASS 476.095476104 AVERAGEMASS 476.387 SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c4)c(c(cc4O)2)C(=O)C=C(c(c3)ccc(c3O)O)O2)1)OC M END
</pre>