Mol:FL2FAANI0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.4070 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2944 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2944 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2619 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2619 -0.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 -1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2619 -2.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 -2.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9631 -0.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0751 0.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0751 2.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 2.8898 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 6 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 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL2FAANI0012 KNApSAcK_ID C00008274 NAME Sophoraflavanone A CAS_RN 87893-18-3 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES O=C(C2)c(c(OC2c(c3)ccc(c3)O)1)c(cc(O)c1CC=C(C)CCC=C(C)C)O M END