Mol:FL5FECGS0052
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 3.3206 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9663 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9663 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 -2.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 -1.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 -2.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7495 1.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6273 -1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2663 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8537 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 -1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2619 -2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 -1.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4728 -1.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 -0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 -0.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7495 -1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3024 -1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2268 -2.4469 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 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 23 1 0 0 0 0 S SKP 8 ID FL5FECGS0052 KNApSAcK_ID C00013941 NAME Quercetagetin 6-glucoside;6-Hydroxyquercetin 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-4H-1-benzopyran-4-one CAS_RN 190328-61-1 FORMULA C21H20O13 EXACTMASS 480.090390726 AVERAGEMASS 480.37569999999994 SMILES C(C1Oc(c4O)c(O)cc(c24)OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)(O)C(O)C(O)C(O1)CO M END