Mol:FLIA2LNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.2825 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5545 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -2.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2825 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -0.0590 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 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 12 23 1 0 0 0 0 23 24 1 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 2.2825 0.3535 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -0.2157 -0.6069 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 1.9253 -0.8826 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -2.997 0.423 S SKP 8 ID FLIA2LNS0004 KNApSAcK_ID C00009426 NAME 7-Hydroxy-6,2',4',5'-tetramethoxyisoflavone CAS_RN 22773-72-4 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES c(c(OC)1)(OC)cc(c(C(C3=O)=COc(c32)cc(O)c(OC)c2)c1)OC M END