Mol:FLIAECNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -1.9657 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9657 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2968 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2968 0.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4104 -1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4104 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2968 -1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -0.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5218 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 1.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5218 1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5218 1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 0.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 -0.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6721 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 -1.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 -2.7609 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 7 17 2 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 1 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 21 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 3 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 1 33 M SMT 2 OCH3 M SVB 2 33 -1.8459 -0.9214 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 -2.6802 -0.3483 S SKP 8 ID FLIAECNP0001 KNApSAcK_ID C00009913 NAME 5-Methoxydurmillone;5,6-Dimethoxy-3',4'methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone CAS_RN 124596-67-4 FORMULA C23H20O7 EXACTMASS 408.120902994 AVERAGEMASS 408.40070000000003 SMILES CC(C)(O5)C=Cc(c51)c(O2)c(C(=O)C(c(c4)cc(O3)c(c4)OC3)=C2)c(OC)c1OC M END