Mol:LBF10000BC04
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 18 17 0 0 1 0 0 0 0 0999 V2000 | + | 18 17 0 0 1 0 0 0 0 0999 V2000 |
− | -1.9199 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9199 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0710 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0710 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8632 1.2778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.8632 1.2778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.8632 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8632 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2930 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2930 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7019 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7019 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6628 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6628 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3801 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3801 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9676 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9676 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3801 -0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3801 -0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9676 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9676 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3801 -1.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3801 -1.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9676 -2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9676 -2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5074 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5074 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9199 1.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9199 1.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9199 0.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9199 0.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5777 2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5777 2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8632 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8632 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3 2 1 4 0 0 0 | + | 3 2 1 4 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
− | 2 13 1 0 0 0 0 | + | 2 13 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 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 3 14 1 0 0 0 0 | + | 3 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF10000BC04 | + | ID LBF10000BC04 |
− | FORMULA C16H32O2 | + | FORMULA C16H32O2 |
− | EXACTMASS 256.240230268 | + | EXACTMASS 256.240230268 |
− | AVERAGEMASS 256.42408 | + | AVERAGEMASS 256.42408 |
− | SMILES CCCCCCCCC(CC)(CCCC)C(O)=O | + | SMILES CCCCCCCCC(CC)(CCCC)C(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/ 18 17 0 0 1 0 0 0 0 0999 V2000 -1.9199 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 1.2778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8632 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 -0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 -1.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 -2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 1.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 0.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 4 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 0 0 0 0 1 8 1 0 0 0 0 2 13 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 1 0 0 0 0 3 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 3 18 1 0 0 0 0 17 18 1 0 0 0 0 S SKP 5 ID LBF10000BC04 FORMULA C16H32O2 EXACTMASS 256.240230268 AVERAGEMASS 256.42408 SMILES CCCCCCCCC(CC)(CCCC)C(O)=O M END