Mol:FL5FAAGS0045
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -3.1851 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1851 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4706 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4706 1.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 1.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 -0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4706 -0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 3.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 1.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5615 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1296 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9479 0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4479 0.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5907 0.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 -0.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3618 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 -0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2779 -1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4629 -1.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 -2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -2.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 -3.2163 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 27 8 1 0 0 0 0 24 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 32 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 35 41 1 0 0 0 0 S SKP 5 ID FL5FAAGS0045 FORMULA C27H22O14 EXACTMASS 570.100955412 AVERAGEMASS 570.45518 SMILES O(C(C(O)2)C(OC(C(=O)3)=C(c(c5)ccc(c5)O)Oc(c4)c3c(O)cc(O)4)OCC2O)C(c(c1)cc(O)c(O)c(O)1)=O M END
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