Mol:LBF18303HP06
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 24 0 0 1 0 0 0 0 0999 V2000 | + | 25 24 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.3697 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3697 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0787 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0787 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5549 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5549 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7444 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7444 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0075 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0075 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9576 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9576 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3697 0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3697 0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3697 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3697 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9576 2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9576 2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5124 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5124 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5124 0.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5124 0.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2262 -0.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2262 -0.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9492 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.9492 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.9492 1.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9492 1.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6631 2.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6631 2.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2199 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2199 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6320 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6320 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2199 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2199 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6320 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6320 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2199 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2199 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6320 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6320 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5549 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5549 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7444 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7444 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4829 1.0708 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 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 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 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 11 5 1 4 0 0 0 | + | 11 5 1 4 0 0 0 |
| − | 25 11 1 0 0 0 0 | + | 25 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 |
| − | 4 14 1 0 0 0 0 | + | 4 14 1 0 0 0 0 |
| − | 14 5 1 4 0 0 0 | + | 14 5 1 4 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 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 7 22 1 0 0 0 0 | + | 7 22 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 2 0 0 0 0 | + | 3 23 2 0 0 0 0 |
| − | 4 24 2 0 0 0 0 | + | 4 24 2 0 0 0 0 |
| − | 6 25 2 0 0 0 0 | + | 6 25 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18303HP06 | + | ID LBF18303HP06 |
| − | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
| − | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
| − | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
| − | SMILES CCC=CC=CC(OO)CC(OO)C=CCCCCCCC(=O)OC | + | SMILES CCC=CC=CC(OO)CC(OO)C=CCCCCCCC(=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.3697 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0787 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5549 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7444 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0075 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9576 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3697 0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3697 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9576 2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5124 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5124 0.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2262 -0.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9492 1.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9492 1.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6631 2.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5549 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7444 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4829 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 23 1 0 0 0 0
3 24 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
11 5 1 4 0 0 0
25 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
4 14 1 0 0 0 0
14 5 1 4 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
6 17 1 0 0 0 0
7 22 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 2 0 0 0 0
4 24 2 0 0 0 0
6 25 2 0 0 0 0
S SKP 5
ID LBF18303HP06
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES CCC=CC=CC(OO)CC(OO)C=CCCCCCCC(=O)OC
M END
