Mol:FLIADCNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -3.2167 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2167 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1041 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1041 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 2.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4354 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4354 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1594 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1594 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 0.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1594 -0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -1.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3599 -1.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3599 -2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9365 -1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8701 0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5739 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5739 2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0739 3.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0968 0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3823 0.4848 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 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 11 1 0 0 0 0 7 17 2 0 0 0 0 14 18 1 0 0 0 0 13 19 1 0 0 0 0 19 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 18 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 1 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 34 M SMT 2 OCH3 M SVB 2 34 -3.0968 0.8973 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 -3.5739 2.6401 S SKP 8 ID FLIADCNI0001 KNApSAcK_ID C00009528 NAME Glabrescione B;5,7-Dimethoxy-3',4'-diprenyloxyisoflavone CAS_RN 65893-94-9 FORMULA C27H30O6 EXACTMASS 450.204238692 AVERAGEMASS 450.5235 SMILES C(C)(C)=CCOc(c3OCC=C(C)C)ccc(c3)C(=C1)C(=O)c(c2OC)c(cc(c2)OC)O1 M END