Mol:LBF16000HO04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 19 18 0 0 1 0 0 0 0 0999 V2000 3.0949 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3049 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 -0.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3103 1.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5119 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1799 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4031 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -0.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9284 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5118 -0.3178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0951 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5118 -1.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 1 6 1 0 0 0 0 6 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 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 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 4 0 0 0 S SKP 5 ID LBF16000HO04 FORMULA C16H32O3 EXACTMASS 272.23514489 AVERAGEMASS 272.42348 SMILES CCC(O)CCCCCCCCCCCCC(O)=O M END