Mol:FLIAEANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.7681 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7681 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7672 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7672 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2682 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 -0.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4825 0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5281 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3941 -1.5365 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 1 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 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 18 1 0 0 0 0 18 13 2 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 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 1.7681 -0.7426 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 -2.4825 0.4121 S SKP 8 ID FLIAEANS0002 KNApSAcK_ID C00002540 NAME Irisolidone;4'-O-Methyltectorigenin;5,7-Dihydroxy-6,4'-dimethoxyisoflavone CAS_RN 2345-17-7 FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES COc(c3)ccc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)1 M END