Mol:FL5FAKGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 1.4456 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4456 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6979 0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4123 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4123 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6978 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8413 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8413 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6978 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5557 0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7922 -0.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 -1.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 2.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4456 3.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8379 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5557 1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5023 0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 -2.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6322 -2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4508 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7894 -1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1385 -2.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2371 -1.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7873 -1.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9331 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5331 -2.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7274 -3.0570 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 6 23 1 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 19 1 0 0 0 0 S SKP 8 ID FL5FAKGS0002 KNApSAcK_ID C00013983 NAME Myricetin 3',4'-dimethyl ether 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 244775-37-9 FORMULA C23H24O13 EXACTMASS 508.121690854 AVERAGEMASS 508.42886 SMILES O(C(O4)C(O)C(C(C(CO)4)O)O)C(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)cc(O)c(OC)c1OC M END