Mol:LBF183nnXX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 20 20 0 0 1 0 0 0 0 0999 V2000 -4.9060 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6228 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7978 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 0.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2556 0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6545 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1619 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7394 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1924 -0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 3 1 4 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 4 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 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 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 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 S SKP 5 ID LBF183nnXX01 FORMULA C18H30O2 EXACTMASS 278.224580204 AVERAGEMASS 278.4296 SMILES OC(=O)CCCCC=CCCCCCCC(C1)C=CC1 M END