Mol:FL5FACGA0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -3.2126 0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2126 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 0.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5437 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9874 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9874 0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5437 0.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5437 -0.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4313 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4313 1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3393 -0.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7061 -0.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3185 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0639 -0.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 -0.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 0.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 1.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 -0.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 0.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4429 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7884 -1.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 -1.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 -2.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 2.6186 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 3 4 1 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 16 36 1 0 0 0 0 S SKP 8 ID FL5FACGA0027 KNApSAcK_ID C00005946 NAME Quercetin 3-(6''-acetylgalactoside) CAS_RN 94799-71-0 FORMULA C23H22O13 EXACTMASS 506.10604078999995 AVERAGEMASS 506.41298000000006 SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(O)C(C(C(COC(C)=O)2)O)O)1)cc(c(c1)O)O M END