Mol:FLIF2LNP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -2.4260 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1049 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0684 -0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3896 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0684 -1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3896 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0319 0.3745 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3531 -0.1818 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0319 -0.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3530 0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0096 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3530 2.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0398 2.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3832 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0398 0.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9952 -0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 0.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3554 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3896 -1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0684 -2.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -2.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1048 -1.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7296 -2.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 -2.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9058 2.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7719 3.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5319 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 -0.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 2.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3183 2.7745 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 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 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 9 17 1 0 0 0 0 7 18 2 0 0 0 0 16 19 1 0 0 0 0 19 17 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 1 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 2 28 1 0 0 0 0 28 29 1 0 0 0 0 13 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 30 31 M SBL 3 1 34 M SMT 3 OCH3 M SVB 3 34 1.0145 -1.6617 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 32 M SMT 2 OCH3 M SVB 2 32 -2.6587 -0.0475 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 30 M SMT 1 OCH3 M SVB 1 30 2.2636 -1.353 S SKP 8 ID FLIF2LNP0001 KNApSAcK_ID C00009978 NAME Erythynone;(+)-2,3,10-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':9,8]rotenone CAS_RN 128700-25-4 FORMULA C24H24O7 EXACTMASS 424.152203122 AVERAGEMASS 424.44316000000003 SMILES O(c53)C(C2C(=O)c(cc(c(c45)OC(C)(C)C=C4)OC)3)COc(c12)cc(c(c1)OC)OC M END
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