Mol:FL3FF9GS0010
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.5951 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4062 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4062 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 2.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -1.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 -1.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5255 -2.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6101 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 0.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5103 0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 0.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1295 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2865 1.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 1.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4062 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8835 -0.3623 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 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 18 21 1 0 0 0 0 20 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 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 19 1 0 0 0 0 S SKP 8 ID FL3FF9GS0010 KNApSAcK_ID C00013603 NAME Immaculoside;7-Hydroxy-5,8-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one CAS_RN 442201-58-3 FORMULA C23H24O10 EXACTMASS 460.136946988 AVERAGEMASS 460.43066 SMILES C(C(=O)1)=C(c(c4)cccc4)Oc(c(OC)2)c(c(cc2OC(C(O)3)OC(CO)C(C3O)O)OC)1 M END
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