Mol:FL5FECGS0067
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 3.2711 -0.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 0.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2711 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 0.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8421 -0.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 0.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 -0.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 -1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8421 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3013 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 -0.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3013 -1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 -2.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 0.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 -1.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3013 -2.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 1.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2711 2.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6768 -1.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2168 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8042 -2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0058 -1.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6249 -1.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4233 -1.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 -1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0601 -0.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -1.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2529 -1.9305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1773 -2.6204 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 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 15 23 1 0 0 0 0 22 24 1 0 0 0 0 18 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 29 23 1 0 0 0 0 S SKP 8 ID FL5FECGS0067 KNApSAcK_ID C00013957 NAME Quercetagetin 7,3'-dimethyl ether 6-glucoside;6-(beta-D-Glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one CAS_RN 224623-25-0 FORMULA C23H24O13 EXACTMASS 508.121690854 AVERAGEMASS 508.42886 SMILES c(O)(c(OC(O4)C(O)C(C(C(CO)4)O)O)1)c(C3=O)c(OC(=C3O)c(c2)ccc(c(OC)2)O)cc1OC M END