Mol:LBF18207SC03
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 20 19 0 0 0 0 0 0 0 0999 V2000 | + | 20 19 0 0 0 0 0 0 0 0999 V2000 |
− | 3.5777 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5777 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1498 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1498 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7548 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7548 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1498 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1498 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0277 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0277 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4777 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4777 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9827 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9827 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4052 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4052 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9102 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9102 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4152 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4152 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1073 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1073 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8223 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8223 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2898 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2898 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8123 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8123 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2798 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2798 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7473 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7473 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2698 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2698 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7648 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7648 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2323 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2323 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7548 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7548 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 2 4 2 0 0 0 0 | + | 2 4 2 0 0 0 0 |
− | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF18207SC03 | + | ID LBF18207SC03 |
− | FORMULA C18H32O2 | + | FORMULA C18H32O2 |
− | EXACTMASS 280.240230268 | + | EXACTMASS 280.240230268 |
− | AVERAGEMASS 280.44548000000003 | + | AVERAGEMASS 280.44548000000003 |
− | SMILES CCCCCCC=CC=CCCCCCCCC(O)=O | + | SMILES CCCCCCC=CC=CCCCCCCCC(O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 20 19 0 0 0 0 0 0 0 0999 V2000 3.5777 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7548 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0277 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4777 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9827 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1073 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8223 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7473 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2698 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7648 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2323 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7548 0.0034 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 1 0 0 0 0 11 12 2 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 S SKP 5 ID LBF18207SC03 FORMULA C18H32O2 EXACTMASS 280.240230268 AVERAGEMASS 280.44548000000003 SMILES CCCCCCC=CC=CCCCCCCCC(O)=O M END