Mol:LBF18106EO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 21 0 0 1 0 0 0 0 0999 V2000 -4.2676 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5024 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5366 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4482 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7647 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7647 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7647 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 -2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8551 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2676 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2676 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 4 0 0 0 5 6 1 4 0 0 0 1 7 1 0 0 0 0 2 10 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 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 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 17 16 1 4 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 2 21 2 0 0 0 0 S SKP 5 ID LBF18106EO01 FORMULA C18H32O3 EXACTMASS 296.23514489 AVERAGEMASS 296.44488 SMILES C(C(CC=CCCCCC)1)(CCCCCCCC(O)=O)O1 M END