Mol:FL5FACGS0102
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 0.7691 1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 2.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 3.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4836 2.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4836 1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 1.9700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0888 1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0888 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5177 1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5177 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 -0.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2322 1.9700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0609 0.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 -0.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 3.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 3.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -0.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2319 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 -1.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 -2.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 -2.5349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7514 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4133 -1.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0144 -2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5838 -2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7592 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 -3.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 -2.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2877 -2.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -2.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7495 -2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6192 -3.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1128 -3.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 -1.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 -2.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 -1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0445 -1.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8384 -0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 -0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0900 -0.9827 0.0000 O 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 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 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 25 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 28 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 36 42 1 0 0 0 0 37 43 1 0 0 0 0 33 38 1 0 0 0 0 26 19 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 48 1 0 0 0 0 51 54 1 0 0 0 0 29 44 1 0 0 0 0 S SKP 5 ID FL5FACGS0102 FORMULA C36H36O18 EXACTMASS 756.190164348 AVERAGEMASS 756.6602399999999 SMILES c(c6)(cc(O)c(c61)C(=O)C(OC(O4)C(C(C(C4COC(C(O)5)OC(C)C(O)C(O)5)O)O)OC(=O)C=Cc(c3)ccc(O)c3)=C(c(c2)ccc(O)c2O)O1)O M END
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