Mol:FL7AAGGL0046
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 -2.5311 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5311 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8166 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8166 2.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3878 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3267 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3267 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3878 2.6492 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.1032 2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 2.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5322 2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5322 3.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 3.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1032 3.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1722 3.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1852 0.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1111 2.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8166 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 4.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 2.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 -1.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5086 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6921 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 0.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2519 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4015 -0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 -2.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2791 -1.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5529 -0.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8567 -1.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2676 -2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 -3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8867 -2.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0884 -3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 -2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4693 -2.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 -3.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4247 -3.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1971 -2.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0227 -2.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4029 -4.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0629 -4.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -4.5876 0.0000 C 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 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 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 18 1 0 0 0 0 33 29 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 37 40 1 0 0 0 0 36 41 1 0 0 0 0 35 42 1 0 0 0 0 34 43 1 0 0 0 0 38 33 1 0 0 0 0 41 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAGGL0046 FORMULA C29H33O17 EXACTMASS 653.1717746300001 AVERAGEMASS 653.56212 SMILES C(O1)(OCC(C5O)OC(C(C5O)O)Oc(c2)c(c(c4)cc(c(O)c4O)O)[o+1]c(c3)c2c(O)cc(O)3)C(O)C(C(O)C1C)OC(C)=O M END
</pre>