Mol:LBF18203HP01
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 25 0 0 1 0 0 0 0 0999 V2000 | + | 25 25 0 0 1 0 0 0 0 0999 V2000 |
− | -2.6053 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6053 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3102 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3102 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1319 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1319 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2303 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2303 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5831 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5831 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4393 1.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4393 1.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0020 1.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0020 1.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0259 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0259 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0258 1.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0258 1.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7499 2.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7499 2.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4391 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4391 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8571 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8571 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4391 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4391 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8571 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8571 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4391 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4391 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8571 -2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8571 -2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4391 -2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4391 -2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1874 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1874 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6053 0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6053 0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6053 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6053 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1874 2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1874 2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9569 1.4370 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 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
− | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 1 4 0 0 0 | + | 5 6 1 4 0 0 0 |
− | 7 6 1 4 0 0 0 | + | 7 6 1 4 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 |
− | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
− | 7 10 1 0 0 0 0 | + | 7 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 |
− | 10 13 1 4 0 0 0 | + | 10 13 1 4 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 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 |
− | 19 18 1 4 0 0 0 | + | 19 18 1 4 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
− | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 3 24 2 0 0 0 0 | + | 3 24 2 0 0 0 0 |
− | 4 25 2 0 0 0 0 | + | 4 25 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF18203HP01 | + | ID LBF18203HP01 |
− | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
− | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
− | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
− | SMILES C(O1)(CC(C=CC=CCC)O1)C(OO)CCCCCCCC(=O)OC | + | SMILES C(O1)(CC(C=CC=CCC)O1)C(OO)CCCCCCCC(=O)OC |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 25 0 0 1 0 0 0 0 0999 V2000 -2.6053 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1319 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4393 1.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 1.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 1.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7499 2.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 -2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1874 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6053 0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6053 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1874 2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 4 0 0 0 7 6 1 4 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 4 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 19 18 1 4 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 S SKP 5 ID LBF18203HP01 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES C(O1)(CC(C=CC=CCC)O1)C(OO)CCCCCCCC(=O)OC M END