Mol:LBF18207HP02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 26 0 0 1 0 0 0 0 0999 V2000 -2.2414 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6482 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2067 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0469 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0469 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0469 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0469 -3.3618 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 -1.9355 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1398 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4253 1.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4253 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4253 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3997 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6482 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2067 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 4 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 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 1 16 1 0 0 0 0 2 19 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 2 20 1 4 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 3 26 2 0 0 0 0 4 27 2 0 0 0 0 S SKP 5 ID LBF18207HP02 FORMULA C23H42O4 EXACTMASS 382.30830983199996 AVERAGEMASS 382.57718 SMILES C(C)CCCC(OOC(C)(C)C)C=CC=CCCCCCCCC(=O)OC M END