Mol:FL5FEANM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.8930 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2603 -0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2338 0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2794 1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4991 0.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4682 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5337 2.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3368 1.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 3.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9382 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3047 2.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 3.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 -1.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -0.8071 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -2.5983 -0.3996 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -2.241 0.77 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 0.5403 -0.6973 S SKP 8 ID FL5FEANM0001 KNApSAcK_ID C00004891 NAME 8-C-Methyl-6-hydroxykaempferol 3,6,7-trimethyl ether;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one CAS_RN 151649-38-6 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)C)=O)OC)(c1)ccc(O)c1 M END
