Mol:FL5FACGS0049
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -2.3093 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3093 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6404 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6404 1.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6404 -0.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 1.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 1.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 1.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 2.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -0.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 2.5223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8042 1.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 -1.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6927 -0.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -0.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 0.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 -0.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -1.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -2.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8882 -3.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 3.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 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 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 21 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 16 35 1 0 0 0 0 S SKP 8 ID FL5FACGS0049 KNApSAcK_ID C00005965 NAME Quercetin 3-(4''-acetylrhamnoside) CAS_RN 69120-16-7 FORMULA C23H22O12 EXACTMASS 490.111126168 AVERAGEMASS 490.41358 SMILES c(C(=O)2)(c1O)c(OC(c(c4)cc(c(O)c4)O)=C2OC(C(O)3)OC(C(OC(C)=O)C(O)3)C)cc(c1)O M END