Mol:LBF18304HP03
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -3.1464 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8553 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4054 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2159 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 1.3986 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3315 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6177 0.1622 0.0000 O 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 -0.5513 1.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5513 2.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2651 2.6496 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 -1.3465 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4054 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2159 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 24 25 1 0 0 0 0 2 6 1 0 0 0 0 6 23 1 4 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 13 3 1 4 0 0 0 4 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 5 16 1 0 0 0 0 9 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 LBF18304HP03 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES COC(=O)CCCCCCCC=CC=CC(OO)C=CC(CC)OO M END
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