Mol:FLIB1LNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.2825 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 0.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0573 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -0.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0954 -1.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6398 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1398 2.3099 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 1 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 1 0 0 0 0 12 13 2 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 11 2 0 0 0 0 7 17 2 0 0 0 0 12 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 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 -2.6398 1.4439 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 1.9253 -1.0314 S SKP 8 ID FLIB1LNS0006 KNApSAcK_ID C00009540 NAME Isosativanone;2'-Hydroxy-7,4'-dimethoxyisoflavanone CAS_RN 82829-55-8 FORMULA C17H16O5 EXACTMASS 300.099773622 AVERAGEMASS 300.30593999999996 SMILES COc(c3)cc(O)c(c3)C(C2)C(=O)c(c1)c(O2)cc(OC)c1 M END