Mol:LBF20406PH01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 28 0 0 0 0 0 0 0 0999 V2000 -5.2408 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2408 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4158 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4158 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7022 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9886 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7022 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9886 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4499 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6533 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4499 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6909 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4045 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6909 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6909 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3577 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0758 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7866 0.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 0.3133 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0241 1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6533 0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6111 -0.5117 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 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 S SKP 5 ID LBF20406PH01 FORMULA C22H38NO5P EXACTMASS 427.2487598409999 AVERAGEMASS 427.51462100000003 SMILES C(CCCC=CCC=CCC=CCC=CCCCCC)(NCCOP(O)(O)=O)=O M END