Mol:LBF18303HP05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -3.1464 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8553 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2599 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7342 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 2.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7342 2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 1.4277 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6968 0.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 0.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 2.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 2.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9972 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4094 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9972 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4094 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9972 -1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4094 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9972 -2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2599 1.4277 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 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 4 1 4 0 0 0 25 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 6 22 1 0 0 0 0 16 17 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 5 25 2 0 0 0 0 S SKP 5 ID LBF18303HP05 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES CCC=CC=CC(OO)C=CC(OO)CCCCCCCC(=O)OC M END