Mol:LBF18110HP01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 28 0 0 1 0 0 0 0 0999 V2000 -1.2410 1.0648 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3417 1.0511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3334 0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9907 1.0717 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7226 1.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 1.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9023 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5774 1.0827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3354 0.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 0.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4849 1.0827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5299 1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1349 1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4849 1.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7705 2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7224 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1349 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1349 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7224 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 4 0 0 0 4 3 1 4 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 4 27 1 0 0 0 0 1 8 1 4 0 0 0 9 8 1 4 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 1 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 4 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 7 21 1 0 0 0 0 17 26 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 7 27 2 0 0 0 0 S SKP 5 ID LBF18110HP01 FORMULA C19H32O8 EXACTMASS 388.20971799999995 AVERAGEMASS 388.45258 SMILES C(O1)(C(CC)OO)CC(C(O2)CC(C=CCCCCCCC(=O)OC)O2)O1 M END
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