Mol:LBF18208HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 26 0 0 1 0 0 0 0 0999 V2000 -2.2414 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2841 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5853 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 -3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 1.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1247 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9355 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 0.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 1.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 2.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2841 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 4 0 0 0 4 12 1 4 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 2 21 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 11 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 2 0 0 0 0 3 27 2 0 0 0 0 S SKP 5 ID LBF18208HP01 FORMULA C23H42O4 EXACTMASS 382.30830983199996 AVERAGEMASS 382.57718 SMILES C(CCCC(=O)OC)CCCC(OOC(C)(C)C)C=CC=CCCCCC M END