Mol:FL3FABGS0022
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 -0.3569 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3569 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3575 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3575 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9297 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 0.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9297 1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 0.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -2.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3575 -2.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 -0.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0318 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7745 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3619 -0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 -0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 -0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1827 0.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3223 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9232 0.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3182 0.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 -0.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 -0.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7014 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4161 2.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1893 1.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3985 0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6838 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9105 1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0318 0.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7073 2.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2631 3.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7816 2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2168 -2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4095 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0314 -1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3323 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 -1.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5178 -1.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1198 -1.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8945 -3.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4592 -2.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1465 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 -2.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6189 -2.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0893 -1.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -1.3906 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 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 19 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 20 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 33 42 1 0 0 0 0 37 29 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 45 49 1 0 0 0 0 44 50 1 0 0 0 0 43 51 1 0 0 0 0 48 52 1 0 0 0 0 52 53 1 0 0 0 0 53 55 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 46 32 1 0 0 0 0 S SKP 5 ID FL3FABGS0022 FORMULA C36H44O20 EXACTMASS 796.242593848 AVERAGEMASS 796.7225599999999 SMILES OC(C1COC(O6)C(O)C(C(O)C6C)O)C(C(OC(O5)C(O)C(O)C(O)C5COC(C)=O)C(Oc(c2)cc(O3)c(C(=O)C=C3c(c4)ccc(OC)c4)c2O)O1)O M END
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