Mol:FL3FADGS0027
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 59 64 0 0 0 0 0 0 0 0999 V2000 2.5491 3.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2636 2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 3.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2636 3.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 2.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 0.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3088 2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0233 2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0233 1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3088 0.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 0.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7377 2.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3088 0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6836 3.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 2.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3901 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4959 3.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0834 2.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2853 2.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 2.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9045 3.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7026 2.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9631 3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 2.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8123 2.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9065 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6198 4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6853 3.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9736 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1767 -0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0389 1.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8359 1.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2524 0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8912 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1759 -0.6206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6088 -0.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 0.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2699 1.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3901 0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2127 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2127 -0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5638 -0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5638 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2783 -1.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2783 -2.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5638 -3.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8494 -2.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8494 -1.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5638 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8662 -3.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8662 -3.8538 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 18 26 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 0 0 0 0 35 42 1 0 0 0 0 36 43 1 0 0 0 0 37 44 1 0 0 0 0 41 45 2 0 0 0 0 41 46 1 0 0 0 0 44 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 51 1 0 0 0 0 54 57 1 0 0 0 0 53 58 1 0 0 0 0 58 59 1 0 0 0 0 38 32 1 0 0 0 0 S SKP 5 ID FL3FADGS0027 FORMULA C38H36O21 EXACTMASS 828.174908214 AVERAGEMASS 828.67984 SMILES C(=CC(=O)OC(C(OC(C(Oc(c4)cc(O)c(C5=O)c4OC(c(c6)cc(OC)c(O)c6)=C5)3)C(O)C(O)C(O3)C(O)=O)2)C(O)C(O)C(C(O)=O)O2)c(c1)ccc(c1OC)O M END
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