Mol:LBF08106BC02
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 13 12 0 0 1 0 0 0 0 0999 V2000 | + | 13 12 0 0 1 0 0 0 0 0999 V2000 |
− | -0.2516 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2516 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.6266 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6266 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -1.3341 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3341 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2516 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2516 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6266 0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6266 0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8001 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8001 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9219 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9219 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3341 0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3341 0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3341 -0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3341 -0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1599 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1599 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6644 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6644 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0766 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0766 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6266 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6266 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
− | 1 4 1 0 0 0 0 | + | 1 4 1 0 0 0 0 |
− | 2 5 1 4 0 0 0 | + | 2 5 1 4 0 0 0 |
− | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
− | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 1 10 1 4 0 0 0 | + | 1 10 1 4 0 0 0 |
− | 3 12 1 0 0 0 0 | + | 3 12 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 |
− | 2 13 2 0 0 0 0 | + | 2 13 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF08106BC02 | + | ID LBF08106BC02 |
− | FORMULA C11H20O2 | + | FORMULA C11H20O2 |
− | EXACTMASS 184.14632988399998 | + | EXACTMASS 184.14632988399998 |
− | AVERAGEMASS 184.2753 | + | AVERAGEMASS 184.2753 |
− | SMILES CCCCC(CC)C=C(C)C(O)=O | + | SMILES CCCCC(CC)C=C(C)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/ 13 12 0 0 1 0 0 0 0 0999 V2000 -0.2516 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6266 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3341 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6266 0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8001 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9219 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3341 0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3341 -0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1599 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6644 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0766 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6266 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 4 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 1 10 1 4 0 0 0 3 12 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 2 13 2 0 0 0 0 S SKP 5 ID LBF08106BC02 FORMULA C11H20O2 EXACTMASS 184.14632988399998 AVERAGEMASS 184.2753 SMILES CCCCC(CC)C=C(C)C(O)=O M END