Mol:FL3FFGDS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 48 52 0 0 0 0 0 0 0 0999 V2000 -1.8182 0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8182 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 -0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3251 -0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3251 0.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3251 -1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 -1.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9128 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6657 0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 1.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6657 2.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9128 1.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6232 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9609 -1.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2987 -0.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3981 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0339 -0.2044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2696 -0.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8211 -1.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5532 0.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5493 -1.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -3.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 -2.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 -2.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 -1.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 -2.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -2.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8216 -4.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5668 -3.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6075 -3.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 -2.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 0.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2938 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1165 1.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5558 2.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2497 4.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3336 0.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2938 0.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 2.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 2.9219 0.0000 C 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 2 22 1 0 0 0 0 1 27 1 0 0 0 0 21 28 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 34 37 1 0 0 0 0 32 12 1 0 0 0 0 33 38 1 0 0 0 0 39 40 1 0 0 0 0 15 39 1 0 0 0 0 41 42 1 0 0 0 0 6 41 1 0 0 0 0 43 44 1 0 0 0 0 17 43 1 0 0 0 0 45 46 1 0 0 0 0 24 45 1 0 0 0 0 47 48 1 0 0 0 0 16 47 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 OCH3 M SBV 1 44 -0.7630 0.4579 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 46 M SMT 2 ^ OCH3 M SBV 2 46 0.0127 -0.7345 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 43 44 M SBL 3 1 48 M SMT 3 OCH3 M SBV 3 48 -0.0063 -0.6631 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 45 46 M SBL 4 1 50 M SMT 4 ^ CH2OH M SBV 4 50 0.5846 -0.6714 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 47 48 M SBL 5 1 52 M SMT 5 OCH3 M SBV 5 52 -0.7011 -0.4964 S SKP 5 ID FL3FFGDS0001 FORMULA C31H38O17 EXACTMASS 682.21089979 AVERAGEMASS 682.62322 SMILES OC(C1O)C(OC(c(c5O)c(c(c4c(OC)5)C(=O)C=C(O4)c(c3)cc(c(c(OC)3)OC)OC)OC(O2)C(C(O)C(C(C)2)O)O)C1O)CO M END
</pre>