Mol:FL3FA8GS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.2964 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2964 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5615 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5615 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7049 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7049 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 2.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0108 1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2217 -1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8091 -1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0107 -1.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2173 -1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6298 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 -1.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5852 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 -0.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7049 -1.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 -1.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1822 -2.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 -0.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7114 0.6659 0.0000 C 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 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 12 31 1 0 0 0 0 23 18 1 0 0 0 0 19 32 1 0 0 0 0 S SKP 8 ID FL3FA8GS0004 KNApSAcK_ID C00013605 NAME Echioidinin 5-O-glucoside;5,2'-Dihydroxy-7-methoxyflavone 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(2-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one CAS_RN 220170-97-8 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES C(=C3)(c(c4O)cccc4)Oc(c(C(=O)3)1)cc(OC)cc(OC(C(O)2)OC(CO)C(C2O)O)1 M END
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