Mol:FL5FDCGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -0.5951 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5175 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5175 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0738 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6301 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6301 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0738 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0738 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1862 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7532 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7532 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1862 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7532 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 -0.0072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9195 -0.4972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3850 -0.2893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8692 -0.2838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2440 0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7116 -0.1557 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8816 0.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2698 -0.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0787 -0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9108 0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8662 1.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4961 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3621 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4752 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2393 -1.7471 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 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 1 18 1 0 0 0 0 19 15 1 0 0 0 0 16 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 18 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 8 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 30 31 M SBL 3 1 33 M SMT 3 CH2OH M SVB 3 33 -2.9108 0.7192 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 34 35 M SBL 2 1 37 M SMT 2 OCH3 M SVB 2 37 -0.4752 -1.3346 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SVB 1 35 1.829 -1.0591 S SKP 8 ID FL5FDCGS0010 KNApSAcK_ID C00005601 NAME Caryatin 7-glucoside;Quercetin 3,5-dimethyl ether 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dimethoxy-4H-1-benzopyran-4-one CAS_RN 151590-52-2 FORMULA C23H24O12 EXACTMASS 492.126776232 AVERAGEMASS 492.42946 SMILES O(C)C(=C3c(c4)ccc(c4O)O)C(c(c(O3)2)c(OC)cc(c2)O[C@@H]([C@H]1O)OC(CO)[C@@H]([C@@H]1O)O)=O M END