Mol:FL5FACGL0062
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 51 55 0 0 0 0 0 0 0 0999 V2000 -3.1402 1.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1402 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7112 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7112 1.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 2.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2821 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2821 1.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 2.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 -0.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4321 2.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 1.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8885 2.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8885 3.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 3.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4321 3.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 2.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 3.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5414 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 -0.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7386 0.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0695 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8192 -0.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3602 -0.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0295 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2799 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 0.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 0.3065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -0.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0577 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -1.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3166 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -2.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 -2.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1914 -1.9235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -1.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 -3.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3251 -3.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 -1.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 -3.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1346 -3.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1346 -2.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6727 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -3.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 -3.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -4.4400 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 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 24 20 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 34 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 41 34 1 0 0 0 0 37 33 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 41 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 40 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 S SKP 5 ID FL5FACGL0062 FORMULA C32H34O19 EXACTMASS 722.1694289059999 AVERAGEMASS 722.60096 SMILES O(C(COC(C)=O)1)C(OCC(C(O)2)OC(OC(=C4c(c5)ccc(O)c5O)C(c(c(O4)3)c(O)cc(c3)O)=O)C(O)C2O)C(C(OC(C)=O)1)OC(C)=O M END
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