Mol:LBF20403SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 0 0 0 0 0 0999 V2000 3.4677 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0398 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6448 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0398 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9177 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8727 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4602 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6627 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2998 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6848 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2348 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6198 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0873 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5823 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9948 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4348 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8473 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2323 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6448 -0.6566 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 0 0 0 0 2 4 2 0 0 0 0 1 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 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 S SKP 5 ID LBF20403SC01 FORMULA C20H32O2 EXACTMASS 304.240230268 AVERAGEMASS 304.46688 SMILES C(CC=CCC=CCC=CCCCCCCC(O)=O)=CCC M END