Mol:FL5FAGGS0031
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 1.7862 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 3.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1786 1.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0366 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1025 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 -1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 -1.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -1.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 -2.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 -2.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5821 -2.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7157 -3.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -3.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 -3.5197 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 6 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 26 31 1 0 0 0 0 25 32 1 0 0 0 0 24 33 1 0 0 0 0 30 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 28 19 1 0 0 0 0 S SKP 5 ID FL5FAGGS0031 FORMULA C23H22O13 EXACTMASS 506.10604078999995 AVERAGEMASS 506.41298000000006 SMILES C(C)(C(O)1)OC(OC(C4=O)=C(Oc(c43)cc(cc3O)O)c(c2)cc(O)c(O)c(O)2)C(OC(C)=O)C(O)1 M END
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