Mol:FL1C1ANI0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 0 0 0 0 0 0999 V2000 1.1816 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1816 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0754 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2977 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2977 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 -1.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8466 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 1.9204 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 5 17 1 0 0 0 0 16 18 1 0 0 0 0 14 19 1 0 0 0 0 4 20 1 0 0 0 0 13 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 FL1C1ANI0014 KNApSAcK_ID C00007095 NAME Broussochalcone A CAS_RN 99217-68-2 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2)c(cc(O)c2CC=C(C)C)O)c1 M END