Mol:FLIAA9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.8068 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8068 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2505 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2505 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9745 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9745 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1641 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1641 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9725 -0.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1641 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6641 2.1722 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 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -2.1641 1.3062 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -1.6869 -0.4366 S SKP 8 ID FLIAA9NS0002 KNApSAcK_ID C00009451 NAME 5,7-Dimethoxyisoflavone CAS_RN 26964-35-2 FORMULA C17H14O4 EXACTMASS 282.089208936 AVERAGEMASS 282.29066 SMILES COc(c3)cc(O2)c(c(OC)3)C(=O)C(=C2)c(c1)cccc1 M END