Mol:LBF20000HO04
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 1 0 0 0 0 0999 V2000 | + | 24 23 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.2085 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2085 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7915 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7915 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4185 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4185 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0057 -0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0057 -0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4240 1.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4240 1.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6256 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6256 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0426 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0426 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4595 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4595 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8765 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8765 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2935 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2935 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7106 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7106 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1276 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1276 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4830 0.3879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4830 0.3879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.2314 -0.3879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.2314 -0.3879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.8147 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8147 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3981 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3981 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9815 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9815 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5465 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5465 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2615 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2615 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8390 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8390 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4223 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4223 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0057 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0057 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4727 1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4727 1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2239 -1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2239 -1.2129 0.0000 O 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 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 |
| − | 3 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 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 |
| − | 9 10 1 0 0 0 0 | + | 9 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 |
| − | 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 |
| − | 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 |
| − | 13 23 1 4 0 0 0 | + | 13 23 1 4 0 0 0 |
| − | 14 24 1 4 0 0 0 | + | 14 24 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20000HO04 | + | ID LBF20000HO04 |
| − | FORMULA C20H40O4 | + | FORMULA C20H40O4 |
| − | EXACTMASS 344.29265976799996 | + | EXACTMASS 344.29265976799996 |
| − | AVERAGEMASS 344.5292 | + | AVERAGEMASS 344.5292 |
| − | SMILES C(CCCCC(O)C(O)CCCCCCCCCC(O)=O)CCC | + | SMILES C(CCCCC(O)C(O)CCCCCCCCCC(O)=O)CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
4.2085 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7915 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4185 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0057 -0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4240 1.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6256 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0426 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4595 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8765 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2935 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1276 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4830 0.3879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.2314 -0.3879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8147 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3981 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9815 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5465 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2615 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8390 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4223 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0057 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2239 -1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 2 0 0 0 0
1 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 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
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
13 23 1 4 0 0 0
14 24 1 4 0 0 0
S SKP 5
ID LBF20000HO04
FORMULA C20H40O4
EXACTMASS 344.29265976799996
AVERAGEMASS 344.5292
SMILES C(CCCCC(O)C(O)CCCCCCCCCC(O)=O)CCC
M END
