Mol:FL5FGCNS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -1.6583 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1124 -1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7329 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8992 -2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -2.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8245 -2.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5197 -2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6859 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2317 -3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -3.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8738 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3979 -4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0303 -4.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1997 -4.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7367 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 -5.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9349 -4.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3062 -3.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8975 -5.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5752 -6.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4438 -5.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 -6.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6159 -3.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 -3.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4747 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9681 -1.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 -2.2560 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 28 29 M SBL 5 1 30 M SMT 5 OCH3 M SVB 5 30 -2.5983 0.482 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 OCH3 M SVB 4 28 -2.9555 -0.6877 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 -1.4067 0.7574 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 2.241 1.1662 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 1.3907 1.7424 S SKP 8 ID FL5FGCNS0016 KNApSAcK_ID C00004801 NAME 3,5-Dihydroxy-6,7,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one CAS_RN 158437-63-9 FORMULA C20H20O9 EXACTMASS 404.11073223799997 AVERAGEMASS 404.3674 SMILES O(C)c(c31)c(c(c(c1C(C(O)=C(O3)c(c2)cc(c(c2)OC)OC)=O)O)OC)OC M END
