Mol:LBF20406AM10
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 25 0 0 0 0 0 0 0 0999 V2000 -3.9521 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9521 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4135 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6999 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4135 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6999 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8749 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8749 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3646 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5524 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5524 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9797 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9797 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9804 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3646 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 1.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6027 -0.5234 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 6 10 2 0 0 0 0 9 11 1 0 0 0 0 2 12 1 0 0 0 0 1 12 1 0 0 0 0 11 13 1 0 0 0 0 14 10 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 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 20 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 S SKP 5 ID LBF20406AM10 FORMULA C24H41NO EXACTMASS 359.318814939 AVERAGEMASS 359.58847999999995 SMILES C(=CCCCC(NC(C)(C)C)=O)CC=CCC=CCC=CCCCCC M END
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