Mol:FL2FAANI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -3.2856 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2856 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7293 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7293 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8772 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2187 0.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7293 -2.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8838 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5483 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2127 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2127 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8772 0.8855 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 9 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 18 1 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FL2FAANI0004 KNApSAcK_ID C00008235 NAME Selinone CAS_RN 14117-54-5 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES c(c1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc(OCC=C(C)C)cc1 M END