Mol:FLIDWXNS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.4612 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7864 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 0.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 -1.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2418 -1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 2.3431 0.0000 C 0 0 0 0 0 0 0 0 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 2 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 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 6 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -2.8184 1.477 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 1.7467 -0.9983 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 2.1039 0.2379 S SKP 8 ID FLIDWXNS0010 KNApSAcK_ID C00009702 NAME Bryacarpene 1;4,10-Dihydroxy-3,8,9-trimethoxypterocarpene CAS_RN 55306-14-4 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES c(c4OC)c(c3c(c4OC)O)c(c(o3)1)COc(c(O)2)c1ccc2OC M END