Mol:FLIDWXNS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.4612 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7864 -0.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 0.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -0.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3184 2.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 -1.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 -1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2418 -1.6708 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 15 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 24 25 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 1.7467 -0.877 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 0.4976 -1.1857 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -2.8184 1.5982 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 2.1039 0.3591 S SKP 8 ID FLIDWXNS0008 KNApSAcK_ID C00009700 NAME Bryacarpene 3;3,8,9,10-Tetramethoxypterocarpene CAS_RN 55306-17-7 FORMULA C19H18O6 EXACTMASS 342.110338308 AVERAGEMASS 342.34262 SMILES c(c1OC)c(c24)c(oc(c(c3OC4)ccc(OC)c3)2)c(c1OC)OC M END