Mol:LBF20406AM01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 25 0 0 0 0 0 0 0 0999 V2000 -4.3074 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3074 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4824 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4824 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0552 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0552 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7199 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9107 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6243 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9107 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6243 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3384 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6251 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2911 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 0.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0166 -0.9306 0.0000 O 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 24 25 1 0 0 0 0 24 26 2 0 0 0 0 S SKP 5 ID LBF20406AM01 FORMULA C22H35NO3 EXACTMASS 361.261693991 AVERAGEMASS 361.51824 SMILES C(CCCC=CCC=CCC=CCC=CCCCCC)(NCC(O)=O)=O M END