Mol:LBF18203HP03
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 25 0 0 1 0 0 0 0 0999 V2000 -2.7455 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 1.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2368 1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1902 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2455 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 -0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1902 1.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 2.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 -2.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 -2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3198 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 2.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3198 2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 4 0 0 0 5 4 1 4 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 4 0 0 0 10 9 1 4 0 0 0 8 11 1 0 0 0 0 11 12 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 19 18 1 4 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 2 24 2 0 0 0 0 13 25 1 0 0 0 0 25 10 2 0 0 0 0 S SKP 5 ID LBF18203HP03 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES C(O1)(CC(C=CC)O1)C(OO)CC=CCCCCCCCC(=O)OC M END
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