Mol:FL3FE9GS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.0207 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0207 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4082 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4082 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 -0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 -2.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5513 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2795 -0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2795 1.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5513 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7349 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 -2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -0.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8178 0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 2.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1128 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0076 0.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7349 -1.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0934 2.5630 0.0000 O 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 20 1 1 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 20 28 1 0 0 0 0 21 18 1 0 0 0 0 2 29 1 0 0 0 0 24 30 1 0 0 0 0 S SKP 5 ID FL3FE9GS0004 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES C(=O)(C=3)c(c2O)c(OC3c(c4)cccc4)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1 M END
</pre>