Mol:FLIDWXNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -2.4612 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7864 -0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 -1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3184 2.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 0.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2418 -1.6197 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 1 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 1.7467 -0.826 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 2.1039 0.4101 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -2.8184 1.6492 S SKP 8 ID FLIDWXNS0006 KNApSAcK_ID C00009698 NAME Bryacarpene 2;10-Hydroxy-3,8,9-trimethoxypterocarpene CAS_RN 55306-15-5 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES c(c4OC)c(c3c(c4OC)O)c(c(o3)2)COc(c21)cc(OC)cc1 M END