Mol:FLIAFCNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.1831 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 1.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 1.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -1.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9124 2.6867 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 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 -1.3488 1.787 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 2.0247 -0.9637 S SKP 8 ID FLIAFCNS0001 KNApSAcK_ID C00009475 NAME 5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone CAS_RN 56419-18-2 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c3)c(O)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)c(OC)c(O)c1 M END