Mol:FL1C1ANI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 25 0 0 0 0 0 0 0 0999 V2000 1.1815 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1815 -0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7378 -1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2941 -0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2941 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7378 0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0755 -0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 -1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 -1.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 -0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 -0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 0.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -1.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 0.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2965 0.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2965 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8479 1.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 1.9214 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 17 5 1 0 0 0 0 18 16 1 0 0 0 0 14 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 S SKP 8 ID FL1C1ANI0008 KNApSAcK_ID C00007068 NAME Broussochalcone B CAS_RN 28448-85-3 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(cc(O)c1CC=C(C)C)O M END