Mol:LBF18302HP02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -3.2417 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7173 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9069 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9069 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4586 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4586 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2559 0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7173 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 25 24 1 4 0 0 0 2 6 1 0 0 0 0 6 3 1 4 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 9 1 0 0 0 0 9 4 1 4 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 5 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 18 17 1 4 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 2 0 0 0 0 4 24 2 0 0 0 0 5 25 2 0 0 0 0 S SKP 5 ID LBF18302HP02 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES CC=CC(OO)CC(OO)C=CC=CCCCCCCCC(=O)OC M END