Mol:FL5FACGS0056
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 -4.3364 0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3364 -0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 -0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6675 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1112 -0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1112 0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6675 0.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6675 -1.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 0.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 -1.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 1.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8520 0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4818 -0.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 2.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4242 -0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 -0.4182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2794 -0.4736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2481 -0.8664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7550 -0.4532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1034 -0.3977 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0035 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5864 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5823 -1.1041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7694 -1.7425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3900 -1.7378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9139 -1.9305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6789 -1.4071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1110 -1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 -1.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1732 -1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5021 -2.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6789 -1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7935 -2.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5027 -0.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4174 -0.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1295 -0.7695 0.0000 C 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 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 23 24 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 23 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 24 21 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 36 41 1 0 0 0 0 35 42 1 0 0 0 0 38 27 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 S SKP 8 ID FL5FACGS0056 KNApSAcK_ID C00005980 NAME Quercetin 3-(6'''-acetylglucosyl)(1->4)-rhamnoside CAS_RN 145626-31-9 FORMULA C29H32O17 EXACTMASS 652.163949598 AVERAGEMASS 652.55418 SMILES [C@H]([C@@H](O)1)(O)[C@@H](C(O[C@@H]1O[C@H](C5C)[C@@H](O)[C@H](O)[C@H](O5)OC(C(=O)3)=C(Oc(c4)c3c(cc4O)O)c(c2)cc(c(c2)O)O)COC(C)=O)O M END