Mol:LBF18203HP02
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 |
| − | -2.7775 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7775 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1790 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1790 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3053 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3053 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7278 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7278 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2441 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2441 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1531 0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1531 0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5397 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5397 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3820 1.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3820 1.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1017 1.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1017 1.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0251 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0251 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1287 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1287 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8501 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8501 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3084 0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3084 0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8501 -0.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8501 -0.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3084 -1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3084 -1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8501 -1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8501 -1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4184 -2.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4184 -2.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7286 1.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7286 1.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0650 2.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0650 2.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7804 1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7804 1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1287 0.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1287 0.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1287 2.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1287 2.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6704 2.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6704 2.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1790 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1790 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5669 0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5669 0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 3 1 4 0 0 0 | + | 4 3 1 4 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 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 |
| − | 17 16 1 4 0 0 0 | + | 17 16 1 4 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 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 |
| − | 2 24 2 0 0 0 0 | + | 2 24 2 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 25 17 1 0 0 0 0 | + | 25 17 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18203HP02 | + | ID LBF18203HP02 |
| − | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
| − | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
| − | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
| − | SMILES C(O1)(CC(C=CCCCCCCC(=O)OC)O1)C(OO)CC=CCC | + | SMILES C(O1)(CC(C=CCCCCCCC(=O)OC)O1)C(OO)CC=CCC |
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
-2.7775 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1790 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3053 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7278 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2441 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1531 0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5397 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3820 1.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1017 1.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0251 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1287 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8501 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3084 0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8501 -0.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3084 -1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8501 -1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4184 -2.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7286 1.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0650 2.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7804 1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1287 0.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1287 2.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6704 2.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1790 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5669 0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 3 1 0 0 0 0
4 3 1 4 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
1 11 1 0 0 0 0
10 12 2 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
17 16 1 4 0 0 0
4 18 1 0 0 0 0
18 19 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
2 24 2 0 0 0 0
20 25 1 0 0 0 0
25 17 1 0 0 0 0
S SKP 5
ID LBF18203HP02
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(O1)(CC(C=CCCCCCCC(=O)OC)O1)C(OO)CC=CCC
M END
