Mol:FLIA3CNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -1.1472 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5909 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0346 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0346 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5909 0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 0.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2289 -1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2289 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7033 0.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 -1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 -1.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 -0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 -0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7921 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3363 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8805 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3362 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 1.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 2.1587 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 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 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 1 2 1 0 0 0 0 1 17 1 0 0 0 0 7 18 2 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 30 M SMT 1 OCH3 M SVB 1 30 -0.3129 1.259 S SKP 8 ID FLIA3CNI0001 KNApSAcK_ID C00009822 NAME 7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone CAS_RN 82345-37-7 FORMULA C22H20O6 EXACTMASS 380.125988372 AVERAGEMASS 380.3906 SMILES c(c4OCC=C(C)C)(OC)c(O3)c(cc4)C(=O)C(=C3)c(c2)cc(O1)c(c2)OC1 M END