Mol:FL7AACGL0042
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -3.0485 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6191 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6191 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 2.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9044 0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9044 2.0468 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.5248 2.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9815 2.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9815 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5248 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 2.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7099 3.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 -0.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5512 0.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 -0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 -1.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7516 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 -1.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -0.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7948 -0.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5719 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 0.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9567 0.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6571 1.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5967 0.8113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1692 0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 -0.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -1.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 -1.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5839 -2.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3428 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 4.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 -2.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7962 -2.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2092 -2.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -2.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4479 -2.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -3.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2092 -3.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2729 -2.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 -4.1492 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 28 29 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 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 20 1 0 0 0 0 39 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 15 45 1 0 0 0 0 44 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 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 47 1 0 0 0 0 50 53 1 0 0 0 0 51 54 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AACGL0042 FORMULA C36H37O18 EXACTMASS 757.1979893800001 AVERAGEMASS 757.66818 SMILES c(c6O)c(O)c(c2c6)cc(OC(O3)C(O)C(C(O)C3COC(C4O)OC(C)C(OC(C=Cc(c5)ccc(c(O)5)O)=O)C4O)O)c([o+1]2)c(c1)cc(O)c(c1)O M END
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