Mol:FL5FBCGS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -3.5750 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8738 -0.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8738 0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 -0.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 0.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 -1.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6455 0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6455 2.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 0.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3151 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 -1.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 -1.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4448 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1359 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1587 -1.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 -0.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6379 -0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6955 -1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 2.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6455 2.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 -1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 -1.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 -2.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8738 -1.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 -1.9701 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 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 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 23 31 1 0 0 0 0 34 35 1 0 0 0 0 3 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 31 32 33 M SBL 1 1 36 M SMT 1 COOH M SBV 1 36 -1.0957 0.0315 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 34 35 M SBL 2 1 38 M SMT 2 OCH3 M SBV 2 38 0.0000 0.6704 S SKP 5 ID FL5FBCGS0002 FORMULA C22H20O13 EXACTMASS 492.090390726 AVERAGEMASS 492.3864 SMILES c(c(C(O2)=C(OC(C(O)4)OC(C(O)C4O)C(O)=O)C(=O)c(c(OC)3)c2cc(c3)O)1)cc(c(c1)O)O M END
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