Mol:FLIAECNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.9669 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -0.5220 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 14 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 28 M SMT 3 OCH3 M SVB 3 28 2.2409 -0.7282 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -1.847 0.0042 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 0.9918 -1.0369 S SKP 8 ID FLIAECNS0007 KNApSAcK_ID C00009483 NAME Iriskumaonin methyl ether;3'-O-Methyliriskumaonin;5,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone CAS_RN 2798-43-8 FORMULA C19H16O7 EXACTMASS 356.089602866 AVERAGEMASS 356.32614 SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(OC)c(OC)c2)C1=O M END