Mol:LBF182nnHP01
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 26 0 0 1 0 0 0 0 0999 V2000 | + | 25 26 0 0 1 0 0 0 0 0999 V2000 |
− | -4.7497 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7497 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2533 -0.0757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -4.2533 -0.0757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -3.4750 0.1938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.4750 0.1938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -3.4916 1.0174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.4916 1.0174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -4.2753 1.2568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -4.2753 1.2568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -2.7545 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7545 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0505 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0505 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0505 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0505 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7545 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7545 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3286 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.3286 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.6136 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8164 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8164 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5314 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5314 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2464 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2464 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9614 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9614 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6764 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6764 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1003 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1003 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1058 -0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1058 -0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3913 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3913 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3913 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3913 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1058 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1058 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1058 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1058 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3287 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3287 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0431 -1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0431 -1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2 1 1 4 0 0 0 | + | 2 1 1 4 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 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 |
− | 5 1 1 4 0 0 0 | + | 5 1 1 4 0 0 0 |
− | 3 6 1 4 0 0 0 | + | 3 6 1 4 0 0 0 |
− | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 4 9 1 4 0 0 0 | + | 4 9 1 4 0 0 0 |
− | 10 7 1 4 0 0 0 | + | 10 7 1 4 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 |
− | 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 |
− | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
− | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 17 20 1 0 0 0 0 | + | 17 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 |
− | 10 24 1 0 0 0 0 | + | 10 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF182nnHP01 | + | ID LBF182nnHP01 |
− | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
− | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
− | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
− | SMILES C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1 | + | SMILES C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 1 0 0 0 0 0999 V2000 -4.7497 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2533 -0.0757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4750 0.1938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4916 1.0174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2753 1.2568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7545 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0505 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0505 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7545 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6136 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2464 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9614 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6764 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1003 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 -0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3287 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 -1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 4 0 0 0 3 6 1 4 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 4 9 1 4 0 0 0 10 7 1 4 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 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 5 18 1 0 0 0 0 2 19 1 0 0 0 0 18 19 1 0 0 0 0 17 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 10 24 1 0 0 0 0 24 25 1 0 0 0 0 S SKP 5 ID LBF182nnHP01 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1 M END