Mol:FL3FGAGS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 2.4079 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4079 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8789 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 1.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8144 -1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5111 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2109 1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2118 1.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7278 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3153 0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5172 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1364 0.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9346 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0915 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5712 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2109 0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 0.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6887 -0.3079 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 13 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 18 29 1 0 0 0 0 S SKP 8 ID FL3FGAGS0003 KNApSAcK_ID C00013705 NAME Nevadensin 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 210837-37-9 FORMULA C24H26O12 EXACTMASS 506.142426296 AVERAGEMASS 506.45604 SMILES C(C(C(O)4)OC(C(O)C4O)Oc(c(OC)3)c(c(c1c(O)3)OC(c(c2)ccc(OC)c2)=CC(=O)1)OC)O M END
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