Mol:LBF18303HP06
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -3.3697 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0787 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7444 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5124 0.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 -0.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9492 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9492 1.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6631 2.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7444 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 5 1 4 0 0 0 25 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 4 14 1 0 0 0 0 14 5 1 4 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 6 17 1 0 0 0 0 7 22 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 6 25 2 0 0 0 0 S SKP 5 ID LBF18303HP06 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES CCC=CC=CC(OO)CC(OO)C=CCCCCCCC(=O)OC M END