Mol:FL4DAANI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.6416 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5999 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5999 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6416 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 -0.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 -0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 -0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 8 18 1 1 0 0 0 15 19 1 0 0 0 0 2 20 1 0 0 0 0 6 21 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 14 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL4DAANI0005 KNApSAcK_ID C00008622 NAME Lespedezaflavanone C CAS_RN 126026-21-9 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES c(c3)(O)c(c(c(c3O)1)OC(c(c2)cc(CC=C(C)C)c(c2)O)C(O)C1=O)CC=C(C)C M END