Mol:FL5FAGGL0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -4.3757 0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3757 -0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 -0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 -0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7068 -0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1505 -0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1505 0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7068 0.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7068 -1.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5944 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0274 0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4604 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4604 1.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0274 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5944 1.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5023 -0.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4569 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8446 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0991 -0.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6509 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 -0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -0.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5619 -0.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6529 -0.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1064 1.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 -1.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9866 0.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2798 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2243 -0.9873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 -0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0274 2.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4825 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4825 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9839 -1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9839 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 -0.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 -1.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9839 -2.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1064 0.3884 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 16 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 40 42 1 0 0 0 0 39 43 1 0 0 0 0 38 44 1 0 0 0 0 14 45 1 0 0 0 0 S SKP 8 ID FL5FAGGL0010 KNApSAcK_ID C00006040 NAME Myricetin 3-(6''-galloylglucoside) CAS_RN 56317-07-8 FORMULA C28H24O17 EXACTMASS 632.101349342 AVERAGEMASS 632.47996 SMILES C(OC(=O)c(c5)cc(O)c(c(O)5)O)C(O1)C(O)C(C(C1OC(C3=O)=C(c(c4)cc(c(O)c4O)O)Oc(c23)cc(cc(O)2)O)O)O M END