Mol:FL3FEAGS0043
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 3.0287 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0287 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4531 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4531 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 -1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4807 0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 0.5787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6858 -0.0585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9327 0.2784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1130 0.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6369 0.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 0.4850 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7254 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4129 0.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8707 0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3531 1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 1.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8707 1.0887 0.0000 C 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 6 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 11 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 14 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 23 27 1 0 0 0 0 22 28 1 0 0 0 0 21 29 1 0 0 0 0 20 24 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 33 M SMT 2 CH2OH M SVB 2 33 -3.3531 1.4042 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 4.1563 1.5012 S SKP 8 ID FL3FEAGS0043 KNApSAcK_ID C00010278 NAME Scutellarein 4'-methyl ether 7-glucoside;Stachannin CAS_RN 35536-70-0 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 M END