Mol:FL3FGCGS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -0.2873 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1433 -1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6328 -1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 -0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3242 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1652 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2126 -0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3031 -0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9041 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 0.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 -0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 1.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1789 1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6801 1.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5879 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0309 -1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2239 2.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1716 1.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 2.0516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2486 1.2648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6273 0.7661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2624 0.1495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0717 0.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 1.3814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4935 2.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6844 1.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3348 2.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 -1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9754 -1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1883 -2.5629 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 3 18 1 0 0 0 0 6 19 1 0 0 0 0 20 15 1 0 0 0 0 21 16 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 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 19 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 1 33 1 0 0 0 0 33 34 1 0 0 0 0 2 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 31 32 M SBL 3 1 34 M SMT 3 CH2OH M SVB 3 34 -1.076 1.9922 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 35 36 M SBL 2 1 38 M SMT 2 OCH3 M SVB 2 38 -1.7738 -1.4723 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 36 M SMT 1 OCH3 M SVB 1 36 -1.4004 -0.3954 S SKP 8 ID FL3FGCGS0003 KNApSAcK_ID C00004439 NAME 5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone 8-glucoside CAS_RN 93290-68-7 FORMULA C23H24O13 EXACTMASS 508.121690854 AVERAGEMASS 508.42886 SMILES O(C)c(c(OC)3)c(O)c(c2c3O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)C(=O)C=C(O2)c(c1)ccc(c1O)O M END
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