Mol:LBF13000BC05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 16 15 0 0 1 0 0 0 0 0999 V2000 -4.1069 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2789 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8664 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0414 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 -0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7369 -3.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5294 3.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5294 2.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 4 0 0 0 1 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 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 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 4 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 S SKP 5 ID LBF13000BC05 FORMULA C14H28O2 EXACTMASS 228.20893013999998 AVERAGEMASS 228.37091999999998 SMILES CCCCC(C)CCCCCCCC(O)=O M END