Mol:LBF20408AM02
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 29 0 0 0 0 0 0 0 0999 V2000 -4.9592 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9592 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1342 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1342 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4206 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3717 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4546 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4206 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5656 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2789 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 0.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4345 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 -0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7993 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5015 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6682 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 -0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2282 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9427 -0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 -0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 8 1 0 0 0 0 1 8 1 0 0 0 0 9 7 1 0 0 0 0 9 10 1 0 0 0 0 11 10 2 0 0 0 0 3 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 11 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 S SKP 5 ID LBF20408AM02 FORMULA C27H47NO2 EXACTMASS 417.360679753 AVERAGEMASS 417.66762 SMILES C(C=CC(C)(C)CCCCCC)C=CCC=CCC=CCCCC(=O)NC(CO)C M END
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